apo-Enterobactin
HIT219201081
sdf文件结构编辑类似物检索
HIT ID: HIT219201081
Cas No: 30414-16-5
分子式: C30H29N3O16
分子量: 687.567
常用名: apo-Enterobactin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-{[(2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-{[(2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoyl]oxy}propanoyl]oxy}propanoic acid
IUPAC: (2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-{[(2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-{[(2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoyl]oxy}propanoyl]oxy}propanoic acid
SMILES: OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O
SMILES: OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(O)=O
InChI key: NTWRWGRCGVKQNS-BZSNNMDCSA-N
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