HIT ID: HIT212038175
Cas No: 870487-09-5
分子式: C23H37N5O6
分子量: 479.578
常用名: Boc-Val-Cit-PAB
氢键受体数 (HBA): 5
氢键供体数 (HBD): 6
LogP: 0.8401461
IUPAC: tert-butyl N-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamate
IUPAC: tert-butyl N-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamate
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1
InChI key: VYCVAPFXSOAOCL-ROUUACIJSA-N
