HIT ID: HIT219136472
Cas No:
分子式: C23H37N7O7
分子量: 523.591
常用名: ATIC-IN-1 acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-5-carbamimidamido-N-[(1S)-1-(diethylcarbamoyl)-2-(4-nitrophenyl)ethyl]-2-acetamidopentanamide; acetic acid
IUPAC: (2S)-5-carbamimidamido-N-[(1S)-1-(diethylcarbamoyl)-2-(4-nitrophenyl)ethyl]-2-acetamidopentanamide; acetic acid
SMILES: CC(O)=O.CCN(CC)C(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
SMILES: CC(O)=O.CCN(CC)C(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
InChI key: DJZJDKMNBAGSBX-APTPAJQOSA-N