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

Systemtic Name: ethanoic acid; 3-[5-methyl-2-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: acetic acid; 2-(benzyloxycarbonylamino)-3-[5-methyl-2-oxo-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-1-yl]propanoic acid CAS Name: acetic acid; 3-[5-methyl-2-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: acetic acid; 3-[5-methyl-2-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: acetic acid; 2-(benzyloxycarbonylamino)-3-[2-keto-5-methyl-4-[4-(2-pyridyl)piperazino]pyrimidin-1-yl]propionic acid Formula: C27H32N6O7 MolecularWeight: 552.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCN(CC2)C3=CC=CC=N3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4.CC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCN(CC2)C3=CC=CC=N3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4.CC(=O)O

InChI

InChI=1S/C25H28N6O5.C2H4O2/c1-18-15-31(16-20(23(32)33)27-25(35)36-17-19-7-3-2-4-8-19)24(34)28-22(18)30-13-11-29(12-14-30)21-9-5-6-10-26-21;1-2(3)4/h2-10,15,20H,11-14,16-17H2,1H3,(H,27,35)(H,32,33);1H3,(H,3,4)