392622 -OEChem-04242422302D 98101 0 1 0 0 0 0 0999 V2000 12.6090 0.0476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -1.3433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 1.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -2.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6913 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5102 1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1701 -0.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1897 -0.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0557 -0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1929 0.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0766 1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7624 2.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9438 2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -3.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -2.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 43 1 0 0 0 0 2 50 1 0 0 0 0 16 3 1 1 0 0 0 3 64 1 0 0 0 0 4 22 2 0 0 0 0 5 29 1 0 0 0 0 5 41 1 0 0 0 0 6 29 2 0 0 0 0 7 32 2 0 0 0 0 14 8 1 6 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 17 9 1 1 0 0 0 9 29 1 0 0 0 0 9 63 1 0 0 0 0 20 10 1 6 0 0 0 10 32 1 0 0 0 0 10 65 1 0 0 0 0 11 32 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 42 1 0 0 0 0 12 44 2 0 0 0 0 13 49 1 0 0 0 0 13 50 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 18 23 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 61 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 62 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 33 1 0 0 0 0 27 72 1 0 0 0 0 28 34 2 0 0 0 0 28 73 1 0 0 0 0 30 35 1 0 0 0 0 30 74 1 0 0 0 0 31 36 2 0 0 0 0 31 75 1 0 0 0 0 33 37 2 0 0 0 0 33 76 1 0 0 0 0 34 37 1 0 0 0 0 34 77 1 0 0 0 0 35 38 2 0 0 0 0 35 78 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 39 42 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 43 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 45 2 0 0 0 0 43 49 2 0 0 0 0 44 46 1 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 89 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 50 98 1 0 0 0 0 M END > 392622 > 1 > 1040 > 9 > 4 > 18 > AAADcfB/uABgAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB9AAAHgQQCAAADTzl3ga/iZPIFgisAzV3XACC8KBxCjhI2J24bImKdDLgsTmcYAgulgL4qAeQwPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate > N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester > 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate > 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate > 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate > N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamic acid thiazol-5-ylmethyl ester > InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 > NCDNCNXCDXHOMX-XGKFQTDJSA-N > 6 > 720.31276100 > C37H48N6O5S2 > 720.9 > CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O > CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O > 202 > 720.31276100 > 0 > 50 > 4 > 0 > 0 > 0 > 0 > 1 > 16 > 1 5 255 > 1 44 8 1 45 8 20 10 6 12 42 8 12 44 8 13 49 8 13 50 8 2 43 8 2 50 8 23 27 8 23 28 8 24 30 8 24 31 8 27 33 8 28 34 8 16 3 5 30 35 8 31 36 8 33 37 8 34 37 8 35 38 8 36 38 8 42 45 8 43 49 8 14 8 6 17 9 5 $$$$