4-[4-[(5,6-dimethylbenzimidazol-1-yl)methylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[4-[(5,6-dimethylbenzimidazol-1-yl)methylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[4-[(5,6-dimethylbenzimidazol-1-yl)methylamino]-5-methyl-2-oxo-pyrimidin-1-yl]butanoic acid CAS Name: 4-[4-[(5,6-dimethyl-1-benzimidazolyl)methylamino]-5-methyl-2-oxo-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[4-[(5,6-dimethylbenzimidazol-1-yl)methylamino]-5-methyl-2-oxopyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[4-[(5,6-dimethylbenzimidazol-1-yl)methylamino]-2-keto-5-methyl-pyrimidin-1-yl]butyric acid Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CNC3=NC(=O)N(C=C3C)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CNC3=NC(=O)N(C=C3C)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O5/c1-17-9-22-23(10-18(17)2)33(15-28-22)16-29-25-19(3)12-32(26(36)31-25)13-21(11-24(34)35)30-27(37)38-14-20-7-5-4-6-8-20/h4-10,12,15,21H,11,13-14,16H2,1-3H3,(H,30,37)(H,34,35)(H,29,31,36)