Acetyl-Lys5-octreotide
HIT217584949
sdf文件结构编辑类似物检索
HIT ID: HIT217584949
Cas No: T83191
分子式: C51H68N10O11S2
分子量: 1061.28
常用名: Acetyl-Lys5-octreotide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-10-(4-acetamidobutyl)-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
IUPAC: (4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-10-(4-acetamidobutyl)-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
SMILES: [H][C@]1(NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O
InChI key: LADWBGPEYCHCBA-MAKOQCITSA-N
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