HIT ID: HIT212717457
Cas No: 29291-35-8
分子式: C19H18N8O7
分子量: 470.402
常用名: Nitrosofolic acid
氢键受体数 (HBA): 13
氢键供体数 (HBD): 5
LogP: -0.10518987
IUPAC: (2S)-2-[1-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)-N-nitrosoformamido]pentanedioic acid
IUPAC: (2S)-2-[1-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)-N-nitrosoformamido]pentanedioic acid
SMILES: Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N(N=O)[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
SMILES: Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N(N=O)[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
InChI key: QPQDSWYBXPBZPJ-LBPRGKRZSA-N
