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

Systemtic Name: 3-[phenylcarbonyl-[2-(pyrimidin-2-ylamino)piperidin-1-yl]amino]propanoic acid Openeye Name: 3-[benzoyl-[2-(pyrimidin-2-ylamino)-1-piperidyl]amino]propanoic acid CAS Name: 3-[benzoyl-[2-(2-pyrimidinylamino)-1-piperidinyl]amino]propanoic acid IUPAC Name: 3-[benzoyl-[2-(pyrimidin-2-ylamino)piperidin-1-yl]amino]propanoic acid Traditional Name: 3-[benzoyl-[2-(2-pyrimidylamino)piperidino]amino]propionic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)NC2=NC=CC=N2)N(CCC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)NC2=NC=CC=N2)N(CCC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c25-17(26)10-14-24(18(27)15-7-2-1-3-8-15)23-13-5-4-9-16(23)22-19-20-11-6-12-21-19/h1-3,6-8,11-12,16H,4-5,9-10,13-14H2,(H,25,26)(H,20,21,22)