RC 161
HIT214320129
sdf文件结构编辑类似物检索
HIT ID: HIT214320129
Cas No: 103237-51-0
分子式: C52H69N11O11S2
分子量: 1088.31
常用名: RC 161
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R)-2-{[(4R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[(2R)-2-acetamido-3-phenylpropanamido]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
IUPAC: (2S,3R)-2-{[(4R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[(2R)-2-acetamido-3-phenylpropanamido]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
SMILES: CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O |@:1|
SMILES: CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O |@:1|
InChI key: RDQAXLBMDMKOLS-UGUGSFBESA-N
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