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

Systemtic Name: 3-[5-methyl-2-oxidanylidene-4-[4-(phenylcarbamoyl)piperazin-1-yl]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[5-methyl-2-oxo-4-[4-(phenylcarbamoyl)piperazin-1-yl]pyrimidin-1-yl]propanoic acid CAS Name: 3-[4-[4-[anilino(oxo)methyl]-1-piperazinyl]-5-methyl-2-oxo-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[5-methyl-2-oxo-4-[4-(phenylcarbamoyl)piperazin-1-yl]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-keto-5-methyl-4-[4-(phenylcarbamoyl)piperazino]pyrimidin-1-yl]propionic acid Formula: C27H30N6O6 MolecularWeight: 534.5637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCN(CC2)C(=O)NC3=CC=CC=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCN(CC2)C(=O)NC3=CC=CC=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

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