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

Systemtic Name: 3-[2-oxidanylidene-5-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[2-oxo-5-propyl-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-1-yl]propanoic acid CAS Name: 3-[2-oxo-5-propyl-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[2-oxo-5-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-keto-5-propyl-4-[4-(2-pyridyl)piperazino]pyrimidin-1-yl]propionic acid Formula: C27H32N6O5 MolecularWeight: 520.58018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)N=C1N2CCN(CC2)C3=CC=CC=N3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CN(C(=O)N=C1N2CCN(CC2)C3=CC=CC=N3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N6O5/c1-2-8-21-17-33(18-22(25(34)35)29-27(37)38-19-20-9-4-3-5-10-20)26(36)30-24(21)32-15-13-31(14-16-32)23-11-6-7-12-28-23/h3-7,9-12,17,22H,2,8,13-16,18-19H2,1H3,(H,29,37)(H,34,35)