Name: Kirrothricin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600323
Cas No:79190-00-4
常用名:Kirrothricin
IUPAC:(2S)-N-[(2E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)-6-methoxy-5,7,17-trimethyl-18-oxooctadeca-2,4,10,12,14,16-hexaen-1-yl]-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]oxan-2-yl]butanamide
IUPAC:(2S)-N-[(2E,4E,6S,7S,9S,10E,12E,14E,16E)-8,9-dihydroxy-18-(4-hydroxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)-6-methoxy-5,7,17-trimethyl-18-oxooctadeca-2,4,10,12,14,16-hexaen-1-yl]-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]oxan-2-yl]butanamide
InChI key:GFPYWBPGDHFJDP-DQTCXKJJSA-N

分子式:C44H64N2O10
分子量:781
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C(=O)NC\C=C\C=C(/C)[C@@H](OC)[C@@H](C)C(O)[C@@H](O)\C=C\C=C\C=C\C=C(/C)C(=O)C1=C(O)CCN(C)C1=O)[C@]1(O)C[C@H](O)C(C)(C)[C@@H](O1)\C=C\C=C/C
SMILES:CC[C@H](C(=O)NC\C=C\C=C(/C)[C@@H](OC)[C@@H](C)C(O)[C@@H](O)\C=C\C=C\C=C\C=C(/C)C(=O)C1=C(O)CCN(C)C1=O)[C@]1(O)C[C@H](O)C(C)(C)[C@@H](O1)\C=C\C=C/C

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