M+B 6153
HIT214319865
sdf文件结构编辑类似物检索
HIT ID: HIT214319865
Cas No: 5804-08-0
分子式: C38H49NO10
分子量: 679.807
常用名: M+B 6153
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3S)-2,3-bis(4-methylbenzoyloxy)butanedioic acid; 4-(octyloxy)-3-(propoxymethyl)aniline
IUPAC: (2R,3S)-2,3-bis(4-methylbenzoyloxy)butanedioic acid; 4-(octyloxy)-3-(propoxymethyl)aniline
SMILES: CCCCCCCCOc1ccc(N)cc1COCCC.Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](OC(=O)c1ccc(C)cc1)C(O)=O)C(O)=O
SMILES: CCCCCCCCOc1ccc(N)cc1COCCC.Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](OC(=O)c1ccc(C)cc1)C(O)=O)C(O)=O
InChI key: WJPSWDDXDCDQAH-FAESNJTISA-N
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