4-[5-methyl-2-oxidanylidene-4-[(1-pyridin-2-ylpiperidin-4-yl)methylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[5-methyl-2-oxidanylidene-4-[(1-pyridin-2-ylpiperidin-4-yl)methylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[5-methyl-2-oxo-4-[[1-(2-pyridyl)-4-piperidyl]methylamino]pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-4-[[1-(2-pyridinyl)-4-piperidinyl]methylamino]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)methylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[2-keto-5-methyl-4-[[1-(2-pyridyl)-4-piperidyl]methylamino]pyrimidin-1-yl]butyric acid Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCC2CCN(CC2)C3=CC=CC=N3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N=C1NCC2CCN(CC2)C3=CC=CC=N3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N6O5/c1-20-17-34(18-23(15-25(35)36)31-28(38)39-19-22-7-3-2-4-8-22)27(37)32-26(20)30-16-21-10-13-33(14-11-21)24-9-5-6-12-29-24/h2-9,12,17,21,23H,10-11,13-16,18-19H2,1H3,(H,31,38)(H,35,36)(H,30,32,37)