{4-[5-(carbamoylamino)-2-{2-[3-(2,5-dioxopyrrol-1-yl)propanamido]-3-methylbutanamido}pentanamido]phenyl}methyl 4-nitrophenyl carbonate, Mal-VC-PAB-PNP
HIT218832700
sdf文件结构编辑类似物检索
HIT ID: HIT218832700
Cas No:
分子式: C32H37N7O11
分子量: 695.686
常用名: {4-[5-(carbamoylamino)-2-{2-[3-(2,5-dioxopyrrol-1-yl)propanamido]-3-methylbutanamido}pentanamido]phenyl}methyl 4-nitrophenyl carbonate, Mal-VC-PAB-PNP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[5-(carbamoylamino)-2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3-methylbutanamido}pentanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: CC(C)C(NC(=O)CCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)N(=O)=O)cc1
InChI key: WZLBRPXGGXMQRU-UHFFFAOYSA-N
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