Levomefolate calcium pentahydrate
HIT214319745
sdf文件结构编辑类似物检索
HIT ID: HIT214319745
Cas No: 419563-18-1
分子式: C20H29CaN7O7
分子量: 519.572
常用名: Levomefolate calcium pentahydrate
常用名: Levomefolate calcium pentahydrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid calcium dihydride hydrate
IUPAC: (2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid calcium dihydride hydrate
SMILES: O.[CaH2].CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]c(N)nc(=O)c12
SMILES: O.[CaH2].CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2[nH]c(N)nc(=O)c12
InChI key: ZWNSLEDZYOTFEC-FDUIRRPTSA-N
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