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

Systemtic Name: 3-[5-methyl-2-oxidanylidene-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[5-methyl-2-oxo-4-[4-(2-pyridylcarbamoyl)-1-piperidyl]pyrimidin-1-yl]propanoic acid CAS Name: 3-[5-methyl-2-oxo-4-[4-[oxo-(2-pyridinylamino)methyl]-1-piperidinyl]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[5-methyl-2-oxo-4-[4-(pyridin-2-ylcarbamoyl)piperidin-1-yl]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-keto-5-methyl-4-[4-(2-pyridylcarbamoyl)piperidino]pyrimidin-1-yl]propionic acid Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O6/c1-18-15-33(16-21(25(35)36)29-27(38)39-17-19-7-3-2-4-8-19)26(37)31-23(18)32-13-10-20(11-14-32)24(34)30-22-9-5-6-12-28-22/h2-9,12,15,20-21H,10-11,13-14,16-17H2,1H3,(H,29,38)(H,35,36)(H,28,30,34)