Stevastelin B3
HIT214320287
sdf文件结构编辑类似物检索
HIT ID: HIT214320287
Cas No: 147334-90-5
分子式: C34H61N3O9
分子量: 655.874
常用名: Stevastelin B3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(3S,6S,9S,12R,13R)-6-[(1R)-1-hydroxyethyl]-13-[(2S,3R)-3-hydroxyhexadecan-2-yl]-12-methyl-2,5,8,11-tetraoxo-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecan-3-yl]methyl acetate
IUPAC: [(3S,6S,9S,12R,13R)-6-[(1R)-1-hydroxyethyl]-13-[(2S,3R)-3-hydroxyhexadecan-2-yl]-12-methyl-2,5,8,11-tetraoxo-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecan-3-yl]methyl acetate
SMILES: [H][C@]1(NC(=O)[C@@H](NC(=O)[C@H](C)[C@]([H])(OC(=O)[C@H](COC(C)=O)NC1=O)[C@@H](C)[C@H](O)CCCCCCCCCCCCC)C(C)C)[C@@H](C)O
SMILES: [H][C@]1(NC(=O)[C@@H](NC(=O)[C@H](C)[C@]([H])(OC(=O)[C@H](COC(C)=O)NC1=O)[C@@H](C)[C@H](O)CCCCCCCCCCCCC)C(C)C)[C@@H](C)O
InChI key: NVCZDYLTENUTNV-RFYOCORYSA-N
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