Name: [(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-34-[(2S,3S)-2-acetamido-3-methylpentanamido]-10-(3H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-31-isopropyl-13-methyl-28-[(1-methylindol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
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HIT ID:HIT217585342
Cas No:934461-40-2
常用名:[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-34-[(2S,3S)-2-acetamido-3-methylpentanamido]-10-(3H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-31-isopropyl-13-methyl-28-[(1-methylindol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
常用名:[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-34-[(2S,3S)-2-acetamido-3-methylpentanamido]-10-(3H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-31-isopropyl-13-methyl-28-[(1-methylindol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
IUPAC:2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-34-[(2S,3S)-2-acetamido-3-methylpentanamido]-10-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-13-methyl-28-[(1-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
IUPAC:2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-34-[(2S,3S)-2-acetamido-3-methylpentanamido]-10-[(1H-imidazol-5-yl)methyl]-19-[(1H-indol-3-yl)methyl]-13-methyl-28-[(1-methyl-1H-indol-3-yl)methyl]-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid
InChI key:WMEMLXDTLKSUOD-OGCOPIPOSA-N

分子式:C72H102N22O18S2
分子量:1627.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

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