SPA107
HIT219201106
sdf文件结构编辑类似物检索
HIT ID: HIT219201106
Cas No: 179939-69-6
分子式: C31H48N4O4
分子量: 540.749
常用名: SPA107
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2E,4S)-2,5-dimethyl-4-[(2S)-N,3,3-trimethyl-2-[(2S)-3-methyl-3-(1-methyl-1H-indol-3-yl)-2-(methylamino)butanamido]butanamido]hex-2-enoate
IUPAC: methyl (2E,4S)-2,5-dimethyl-4-[(2S)-N,3,3-trimethyl-2-[(2S)-3-methyl-3-(1-methyl-1H-indol-3-yl)-2-(methylamino)butanamido]butanamido]hex-2-enoate
SMILES: CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12
SMILES: CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12
InChI key: SLQRJGFANAFMIA-ZQBASNNKSA-N
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