HIT ID: HIT218887362
Cas No: 2748039-77-0
分子式: C31H38N6O9
分子量: 638.678
常用名: Alkyne-Val-Cit-PAB-PNP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(hex-5-ynamido)-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC: {4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(hex-5-ynamido)-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: CC(C)[C@H](NC(=O)CCCC#C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
SMILES: CC(C)[C@H](NC(=O)CCCC#C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: CCJWFYRUIQBIBA-BDYUSTAISA-N
