HIT ID: HIT212717504
Cas No: 73610-81-8
分子式: C35H43N11O14
分子量: 841.792
常用名: NSC 341077
氢键受体数 (HBA): 21
氢键供体数 (HBD): 11
LogP: -2.902921
IUPAC: (2S)-2-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]butanamido]butanamido]butanamido]pentanedioic acid
IUPAC: (2S)-2-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]butanamido]butanamido]butanamido]pentanedioic acid
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
InChI key: UORBZCNWEGKEOP-CMOCDZPBSA-N
