3-[5-methyl-4-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[5-methyl-4-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[5-methyl-4-[4-(6-methyl-2-pyridyl)piperazin-1-yl]-2-oxo-pyrimidin-1-yl]propanoic acid CAS Name: 3-[5-methyl-4-[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-2-oxo-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[5-methyl-4-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-2-oxopyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-keto-5-methyl-4-[4-(6-methyl-2-pyridyl)piperazino]pyrimidin-1-yl]propionic acid Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C3=NC(=O)N(C=C3C)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C3=NC(=O)N(C=C3C)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O5/c1-18-15-32(16-21(24(33)34)28-26(36)37-17-20-8-4-3-5-9-20)25(35)29-23(18)31-13-11-30(12-14-31)22-10-6-7-19(2)27-22/h3-10,15,21H,11-14,16-17H2,1-2H3,(H,28,36)(H,33,34)