Aeruginosin 865
HIT214322677
sdf文件结构编辑类似物检索
HIT ID: HIT214322677
Cas No: 1611990-01-2
分子式: C41H64N6O14
分子量: 864.991
常用名: Aeruginosin 865
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,4S,5S,6R)-6-{[(2R,3aR,5S,6S,7aS)-2-[(4-carbamimidamidobutyl)carbamoyl]-5-(hexanoyloxy)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoyl]-octahydro-1H-indol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC: (2S,3S,4S,5S,6R)-6-{[(2R,3aR,5S,6S,7aS)-2-[(4-carbamimidamidobutyl)carbamoyl]-5-(hexanoyloxy)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoyl]-octahydro-1H-indol-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: [H][C@]12C[C@@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@H](C2)OC(=O)CCCCC)C(=O)NCCCCNC(N)=N
SMILES: [H][C@]12C[C@@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@H](C2)OC(=O)CCCCC)C(=O)NCCCCNC(N)=N
InChI key: GYBRMQYCKSSXID-RIDHWVDWSA-N
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