HIT ID: HIT212714112
Cas No: 41432-72-8
分子式: C40H47N11O19
分子量: 985.874
常用名: 10-Formylpteroylpentaglutamate
氢键受体数 (HBA): 24
氢键供体数 (HBD): 13
LogP: -4.3721075
IUPAC: (2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{N-[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]formamido}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
IUPAC: (2S)-2-[(4S)-4-[(4S)-4-[(4S)-4-[(4S)-4-[(4-{N-[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]formamido}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
SMILES: Nc1nc(=O)c2nc(CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(=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)C(O)=O)cnc2[nH]1
SMILES: Nc1nc(=O)c2nc(CN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(=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)C(O)=O)cnc2[nH]1
InChI key: AIQOHUVZTIREKD-KEOOTSPTSA-N
