2-[[2-[carboxycarbonyl-(phenylmethyl)amino]-5-(phenylmethyl)-6-piperidin-1-yl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-[carboxycarbonyl-(phenylmethyl)amino]-5-(phenylmethyl)-6-piperidin-1-yl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[5-benzyl-2-[benzyl(oxalo)amino]-6-(1-piperidyl)pyrimidin-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-[oxalo-(phenylmethyl)amino]-5-(phenylmethyl)-6-(1-piperidinyl)-4-pyrimidinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[5-benzyl-2-[benzyl(oxalo)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[5-benzyl-2-[benzyl(oxalo)amino]-6-piperidino-pyrimidin-4-yl]amino]-2-keto-acetic acid Formula: C27H27N5O6 MolecularWeight: 517.53318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)N(CC3=CC=CC=C3)C(=O)C(=O)O)NC(=O)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)N(CC3=CC=CC=C3)C(=O)C(=O)O)NC(=O)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O6/c33-23(25(35)36)28-21-20(16-18-10-4-1-5-11-18)22(31-14-8-3-9-15-31)30-27(29-21)32(24(34)26(37)38)17-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,35,36)(H,37,38)(H,28,29,30,33)