HIT ID: HIT218849284
Cas No: 1350456-66-4
分子式: C35H43N7O11
分子量: 737.767
常用名: MC-Val-D-Cit-PAB-PNP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2R)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC: {4-[(2R)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)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)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: HYSPJPGXSALJRR-JOMNFKBKSA-N
