Corixetan
HIT214322892
sdf文件结构编辑类似物检索
HIT ID: HIT214322892
Cas No: 1952359-26-0
分子式: C50H61N11O15
分子量: 1056.1
常用名: Corixetan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(4-{3-[bis({2-[(3-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]ethyl})amino]-2-{[bis({2-[(3-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]ethyl})amino]methyl}propyl}phenyl)carbamoyl]propanoic acid
IUPAC: 3-[(4-{3-[bis({2-[(3-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]ethyl})amino]-2-{[bis({2-[(3-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]ethyl})amino]methyl}propyl}phenyl)carbamoyl]propanoic acid
SMILES: Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(CN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)Cc2ccc(NC(=O)CCC(O)=O)cc2)c(O)c1=O
SMILES: Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(CN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)Cc2ccc(NC(=O)CCC(O)=O)cc2)c(O)c1=O
InChI key: ZKBFFLCQDWEXSG-UHFFFAOYSA-N
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