AAL Toxin TD1
HIT214312297
sdf文件结构编辑类似物检索
HIT ID: HIT214312297
Cas No: 176590-35-5
分子式: C27H47NO10
分子量: 545.671
常用名: AAL Toxin TD1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-2-(2-{[(3R,4R,5S,7S,14R,16S)-17-acetamido-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy}-2-oxoethyl)butanedioate
IUPAC: (2R)-2-(2-{[(3R,4R,5S,7S,14R,16S)-17-acetamido-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy}-2-oxoethyl)butanedioate
SMILES: CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)CNC(C)=O)OC(=O)C[C@@H](CC([O-])=O)C([O-])=O
SMILES: CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)CNC(C)=O)OC(=O)C[C@@H](CC([O-])=O)C([O-])=O
InChI key: QEQNOUGFCMZARY-CIIAXRRNSA-L
共显示1个结果
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