73044814 -OEChem-04262417412D 115118 0 1 0 0 0 0 0999 V2000 8.8671 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5601 0.6681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1305 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7286 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0010 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4651 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1350 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 -0.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6998 -0.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 -4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7428 -1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4106 -1.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8626 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3437 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6772 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0757 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8681 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 0.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9851 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5866 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 -1.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 -2.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7845 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3860 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4765 -6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9354 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2655 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7286 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 32 2 0 0 0 0 3 35 2 0 0 0 0 4 38 2 0 0 0 0 5 45 2 0 0 0 0 6 53 2 0 0 0 0 7 59 1 0 0 0 0 7108 1 0 0 0 0 8 60 1 0 0 0 0 8113 1 0 0 0 0 9 61 2 0 0 0 0 10 63 2 0 0 0 0 11 64 1 0 0 0 0 11114 1 0 0 0 0 12 65 1 0 0 0 0 12115 1 0 0 0 0 13 64 2 0 0 0 0 14 24 1 0 0 0 0 14 32 1 0 0 0 0 14 73 1 0 0 0 0 15 25 1 0 0 0 0 15 30 1 0 0 0 0 15 74 1 0 0 0 0 16 26 1 0 0 0 0 16 38 1 0 0 0 0 16 78 1 0 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 17 80 1 0 0 0 0 18 34 1 0 0 0 0 18 45 1 0 0 0 0 18 83 1 0 0 0 0 19 35 1 0 0 0 0 19 54 1 0 0 0 0 19 87 1 0 0 0 0 20 43 1 0 0 0 0 20 61 1 0 0 0 0 20 96 1 0 0 0 0 21 53 1 0 0 0 0 21104 1 0 0 0 0 21105 1 0 0 0 0 22 62 1 0 0 0 0 22109 1 0 0 0 0 22110 1 0 0 0 0 23 63 1 0 0 0 0 23111 1 0 0 0 0 23112 1 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 25 67 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 36 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 33 1 0 0 0 0 29 39 2 0 0 0 0 31 40 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 33 37 1 0 0 0 0 33 42 2 0 0 0 0 34 38 1 0 0 0 0 34 41 1 0 0 0 0 34 77 1 0 0 0 0 36 46 2 0 0 0 0 36 47 1 0 0 0 0 37 44 2 0 0 0 0 39 79 1 0 0 0 0 40 48 2 0 0 0 0 40 49 1 0 0 0 0 41 53 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 50 1 0 0 0 0 42 84 1 0 0 0 0 43 45 1 0 0 0 0 43 51 1 0 0 0 0 43 85 1 0 0 0 0 44 52 1 0 0 0 0 44 86 1 0 0 0 0 46 55 1 0 0 0 0 46 88 1 0 0 0 0 47 56 2 0 0 0 0 47 89 1 0 0 0 0 48 57 1 0 0 0 0 48 90 1 0 0 0 0 49 58 2 0 0 0 0 49 91 1 0 0 0 0 50 52 2 0 0 0 0 50 92 1 0 0 0 0 51 63 1 0 0 0 0 51 93 1 0 0 0 0 51 94 1 0 0 0 0 52 95 1 0 0 0 0 54 64 1 0 0 0 0 54 97 1 0 0 0 0 54 98 1 0 0 0 0 55 59 2 0 0 0 0 55 99 1 0 0 0 0 56 59 1 0 0 0 0 56100 1 0 0 0 0 57 60 2 0 0 0 0 57101 1 0 0 0 0 58 60 1 0 0 0 0 58102 1 0 0 0 0 61 62 1 0 0 0 0 62 65 1 0 0 0 0 62103 1 0 0 0 0 65106 1 0 0 0 0 65107 1 0 0 0 0 M END > 73044814 > 1 > 1690 > 14 > 14 > 24 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzhngY8zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2AedyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid > 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]acetic acid > 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid > 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid > 2-[[2-[[2-[[2-[[4-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoic acid > 2-[[2-[[2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid > InChI=1S/C42H50N10O13/c43-27(20-53)37(60)48-32(16-34(44)56)41(64)52-33(17-35(45)57)42(65)50-29(13-21-5-9-24(54)10-6-21)39(62)49-30(14-22-7-11-25(55)12-8-22)40(63)51-31(38(61)47-19-36(58)59)15-23-18-46-28-4-2-1-3-26(23)28/h1-12,18,27,29-33,46,53-55H,13-17,19-20,43H2,(H2,44,56)(H2,45,57)(H,47,61)(H,48,60)(H,49,62)(H,50,65)(H,51,63)(H,52,64)(H,58,59) > FFGBKPFJPANTEX-UHFFFAOYSA-N > -5.7 > 902.35588169 > C42H50N10O13 > 902.9 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)N > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)N > 401 > 902.35588169 > 0 > 65 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 37 8 17 39 8 62 22 3 24 28 3 25 27 3 26 31 3 29 33 8 29 39 8 33 37 8 33 42 8 34 41 3 36 46 8 36 47 8 37 44 8 40 48 8 40 49 8 42 50 8 43 51 3 44 52 8 46 55 8 47 56 8 48 57 8 49 58 8 50 52 8 55 59 8 56 59 8 57 60 8 58 60 8 $$$$