AAL Toxin TA2
HIT214312359
sdf文件结构编辑类似物检索
HIT ID: HIT214312359
Cas No: 79367-51-4
分子式: C25H45NO10
分子量: 519.633
常用名: AAL Toxin TA2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-2-(2-{[(3R,4R,5S,7S,13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioate
IUPAC: (2R)-2-(2-{[(3R,4R,5S,7S,13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy}-2-oxoethyl)butanedioate
SMILES: CC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC([O-])=O)C([O-])=O)[C@@H](O)C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN
SMILES: CC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC([O-])=O)C([O-])=O)[C@@H](O)C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN
InChI key: DOFQASYPBACFKP-YIEPZGSCSA-L
共显示1个结果
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