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

Systemtic Name: 4-[4-[(5,6-dimethyl-1H-benzimidazol-2-yl)methylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[4-[(5,6-dimethyl-1H-benzimidazol-2-yl)methylamino]-5-methyl-2-oxo-pyrimidin-1-yl]butanoic acid CAS Name: 4-[4-[(5,6-dimethyl-1H-benzimidazol-2-yl)methylamino]-5-methyl-2-oxo-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[4-[(5,6-dimethyl-1H-benzimidazol-2-yl)methylamino]-5-methyl-2-oxopyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[4-[(5,6-dimethyl-1H-benzimidazol-2-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/c1-16-9-21-22(10-17(16)2)31-23(30-21)12-28-25-18(3)13-33(26(36)32-25)14-20(11-24(34)35)29-27(37)38-15-19-7-5-4-6-8-19/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,29,37)(H,30,31)(H,34,35)(H,28,32,36)