4-[2-oxidanylidene-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[2-oxidanylidene-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[2-oxo-5-phenyl-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-1-yl]butanoic acid CAS Name: 4-[2-oxo-5-phenyl-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[2-oxo-5-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[2-keto-5-phenyl-4-[4-(2-pyridyl)piperazino]pyrimidin-1-yl]butyric acid Formula: C31H32N6O5 MolecularWeight: 568.62298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)N(C=C3C4=CC=CC=C4)CC(CC(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)N(C=C3C4=CC=CC=C4)CC(CC(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N6O5/c38-28(39)19-25(33-31(41)42-22-23-9-3-1-4-10-23)20-37-21-26(24-11-5-2-6-12-24)29(34-30(37)40)36-17-15-35(16-18-36)27-13-7-8-14-32-27/h1-14,21,25H,15-20,22H2,(H,33,41)(H,38,39)