Stercobilin hydrochloride (mixture of isomers)
HIT217705610
sdf文件结构编辑类似物检索
HIT ID: HIT217705610
Cas No: 13129-80-1
分子式: C33H47ClN4O6
分子量: 631.21
常用名: Stercobilin hydrochloride (mixture of isomers)
常用名: Stercobilin hydrochloride (mixture of isomers)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid hydrochloride
IUPAC: 3-(2-{[(2Z)-3-(2-carboxyethyl)-5-{[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid hydrochloride
SMILES: Cl.CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C
SMILES: Cl.CC[C@H]1[C@H](Cc2[nH]c(\C=C3/N=C(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)C(C)=C3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[C@@H]1C
InChI key: WPZBPYPTZWWARY-JRFVQKEISA-N
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