Name: Salinamide A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317868
Cas No:152340-22-2
常用名:Salinamide A
IUPAC:(2R,3R)-N-[(1'S,2S,7'R,9'Z,17'S,20'R,21'S,24'R,29'S,32'R)-29'-benzyl-24'-[(2S)-butan-2-yl]-32'-[(1R)-1-hydroxyethyl]-7',20',28'-trimethyl-11',14',18',22',25',27',30',33'-octaoxo-6',15',19'-trioxa-12',23',26',28',31',34'-hexaazaspiro[oxirane-2,8'-tricyclo[15.9.8.2^{2,5}]hexatriacontane]-2',4',9',35'-tetraen-21'-yl]-3-hydroxy-2,4-dimethylpentanamide
IUPAC:(2R,3R)-N-[(1'S,2S,7'R,9'Z,17'S,20'R,21'S,24'R,29'S,32'R)-29'-benzyl-24'-[(2S)-butan-2-yl]-32'-[(1R)-1-hydroxyethyl]-7',20',28'-trimethyl-11',14',18',22',25',27',30',33'-octaoxo-6',15',19'-trioxa-12',23',26',28',31',34'-hexaazaspiro[oxirane-2,8'-tricyclo[15.9.8.2^{2,5}]hexatriacontane]-2',4',9',35'-tetraen-21'-yl]-3-hydroxy-2,4-dimethylpentanamide
InChI key:UIHLRTKYJPYYEU-UMPSVNBLSA-N

分子式:C51H69N7O15
分子量:1020.147
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12COC(=O)CNC(=O)\C=C/[C@]3(CO3)[C@@H](C)Oc3ccc(cc3)[C@]([H])(NC(=O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O)[C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@]([H])([C@@H](C)O)C(=O)N2 |c:10|
SMILES:[H][C@]12COC(=O)CNC(=O)\C=C/[C@]3(CO3)[C@@H](C)Oc3ccc(cc3)[C@]([H])(NC(=O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O)[C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@]([H])([C@@H](C)O)C(=O)N2 |c:10|

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