Kp7-6
HIT218848377
sdf文件结构编辑类似物检索
HIT ID: HIT218848377
Cas No: 629628-53-1
分子式: C48H56N10O15S2
分子量: 1077.15
常用名: Kp7-6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[(4R,7S,10S,13S,16S,19R)-19-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-13-(2-carboxyethyl)-16-(carboxymethyl)-10-[(1H-imidazol-5-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
IUPAC: (2S)-2-{[(4R,7S,10S,13S,16S,19R)-19-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-13-(2-carboxyethyl)-16-(carboxymethyl)-10-[(1H-imidazol-5-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
InChI key: FXIRLIREUIBHCF-QSVFAHTRSA-N
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