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

Systemtic Name: 4-[5-methyl-2-oxidanylidene-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[5-methyl-2-oxo-4-[4-(2-pyridylcarbamoyl)-1-piperidyl]pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-4-[4-[oxo-(2-pyridinylamino)methyl]-1-piperidinyl]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[2-keto-5-methyl-4-[4-(2-pyridylcarbamoyl)piperidino]pyrimidin-1-yl]butyric acid Formula: C28H32N6O6 MolecularWeight: 548.59028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)C(=O)NC3=CC=CC=N3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)C(=O)NC3=CC=CC=N3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N6O6/c1-19-16-34(17-22(15-24(35)36)30-28(39)40-18-20-7-3-2-4-8-20)27(38)32-25(19)33-13-10-21(11-14-33)26(37)31-23-9-5-6-12-29-23/h2-9,12,16,21-22H,10-11,13-15,17-18H2,1H3,(H,30,39)(H,35,36)(H,29,31,37)