3-[methyl(phenylcarbonyl)amino]-2-[2-(pyrimidin-2-ylamino)piperidin-1-yl]propanoic acid

Systemtic Name: 3-[methyl(phenylcarbonyl)amino]-2-[2-(pyrimidin-2-ylamino)piperidin-1-yl]propanoic acid Openeye Name: 3-[benzoyl(methyl)amino]-2-[2-(pyrimidin-2-ylamino)-1-piperidyl]propanoic acid CAS Name: 3-[benzoyl(methyl)amino]-2-[2-(2-pyrimidinylamino)-1-piperidinyl]propanoic acid IUPAC Name: 3-[benzoyl(methyl)amino]-2-[2-(pyrimidin-2-ylamino)piperidin-1-yl]propanoic acid Traditional Name: 3-[benzoyl(methyl)amino]-2-[2-(2-pyrimidylamino)piperidino]propionic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(=O)O)N1CCCCC1NC2=NC=CC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(C(=O)O)N1CCCCC1NC2=NC=CC=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-24(18(26)15-8-3-2-4-9-15)14-16(19(27)28)25-13-6-5-10-17(25)23-20-21-11-7-12-22-20/h2-4,7-9,11-12,16-17H,5-6,10,13-14H2,1H3,(H,27,28)(H,21,22,23)