HIT ID: HIT218849280
Cas No: 1638970-45-2
分子式: C34H39N7O12
分子量: 737.723
常用名: MC-Ala-Ala-Asn-PAB-PNP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]propanamido]propanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC: {4-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]propanamido]propanamido]propanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: C[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
SMILES: C[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: UZCNUSRZZPELJW-WOVHNISZSA-N
