Name: Caprazamycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323760
Cas No:327164-11-4
常用名:Caprazamycin
别名:卡普拉霉素, CPZ
IUPAC:(2S,5S,6S)-2-[(S)-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-{[(3S)-14-methyl-3-{[(3S)-3-methyl-5-oxo-5-{[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}pentanoyl]oxy}pentadecanoyl]oxy}-3-oxo-1,4-diazepane-5-carboxylic acid
IUPAC:(2S,5S,6S)-2-[(S)-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-{[(3S)-14-methyl-3-{[(3S)-3-methyl-5-oxo-5-{[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}pentanoyl]oxy}pentadecanoyl]oxy}-3-oxo-1,4-diazepane-5-carboxylic acid
InChI key:IDKBSYZJTHLMLI-IUKJTPATSA-N

分子式:C53H87N5O22
分子量:1146.292
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@]1([H])N(C)C[C@H](OC(=O)C[C@H](CCCCCCCCCCC(C)C)OC(=O)C[C@H](C)CC(=O)O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)[C@H](N(C)C1=O)C(O)=O
SMILES:[H][C@@]1(O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)[C@@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@]1([H])N(C)C[C@H](OC(=O)C[C@H](CCCCCCCCCCC(C)C)OC(=O)C[C@H](C)CC(=O)O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)[C@H](N(C)C1=O)C(O)=O

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