17787981 -OEChem-04252410332D 86 88 0 1 0 0 0 0 0999 V2000 4.5832 2.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 4.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3479 -0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6365 7.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 6.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 5.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 2.3882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 0.7920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4054 5.0618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5068 0.3808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 7.2798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 3.3392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7026 -0.8553 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5864 3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 1.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8954 2.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1184 1.1010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3263 2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 4.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8126 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 5.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8231 5.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 6.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 6.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 3.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1929 3.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5216 3.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -0.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 -0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6716 1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 1.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4618 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 -1.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 -1.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 -2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -2.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 1.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 1.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 0.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -0.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 5.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3012 1.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5216 1.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5654 5.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 5.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 5.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 6.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 7.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9676 -0.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6357 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8887 8.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 7.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -8.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 27 2 0 0 0 0 3 28 2 0 0 0 0 4 30 2 0 0 0 0 5 37 2 0 0 0 0 6 38 1 0 0 0 0 6 83 1 0 0 0 0 7 38 2 0 0 0 0 8 42 2 0 0 0 0 9 45 1 0 0 0 0 9 86 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 11 30 1 0 0 0 0 12 25 1 0 0 0 0 12 27 1 0 0 0 0 12 61 1 0 0 0 0 13 28 1 0 0 0 0 13 33 1 0 0 0 0 13 65 1 0 0 0 0 14 31 1 0 0 0 0 14 73 1 0 0 0 0 14 74 1 0 0 0 0 15 37 1 0 0 0 0 15 79 1 0 0 0 0 15 80 1 0 0 0 0 16 42 1 0 0 0 0 16 84 1 0 0 0 0 16 85 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 31 34 1 0 0 0 0 31 64 1 0 0 0 0 32 37 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 33 68 1 0 0 0 0 34 36 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 39 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 39 42 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 43 1 0 0 0 0 40 77 1 0 0 0 0 41 44 2 0 0 0 0 41 78 1 0 0 0 0 43 45 2 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 M END > 17787981 > 1 > 1130 > 10 > 7 > 15 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABAAAAHgAQCAAADCzBmAQwDoPAAgCIAiHSGAACAAAgIAAIiIGOCIgKZjKCkTOUcAAk1hGYmAec36COIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid > 5-amino-2-[[[1-[5-amino-2-[[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid > 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid > 5-amino-2-[[1-[5-amino-2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid > 5-azanyl-2-[[1-[5-azanyl-2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid > 5-amino-2-[[1-[5-amino-5-keto-2-[(1-tyrosylprolyl)amino]pentanoyl]prolyl]amino]-5-keto-valeric acid > InChI=1S/C29H41N7O9/c30-18(15-16-5-7-17(37)8-6-16)27(42)35-13-1-3-21(35)25(40)33-19(9-11-23(31)38)28(43)36-14-2-4-22(36)26(41)34-20(29(44)45)10-12-24(32)39/h5-8,18-22,37H,1-4,9-15,30H2,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)(H,44,45) > HZWWPUTXBJEENE-UHFFFAOYSA-N > -4.5 > 631.29657591 > C29H41N7O9 > 631.7 > C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCC(=O)N)C(=O)O > C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCC(=O)N)C(=O)O > 269 > 631.29657591 > 0 > 45 > 0 > 5 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 14 3 17 28 3 18 27 3 25 29 3 33 35 3 36 40 8 36 41 8 40 43 8 41 44 8 43 45 8 44 45 8 $$$$