2-azanyl-2-methyl-3-oxidanylidene-3-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-2-methyl-3-oxidanylidene-3-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]propanoic acid Openeye Name: 2-amino-2-methyl-3-oxo-3-[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]phenyl]propanoic acid CAS Name: 2-amino-2-methyl-3-oxo-3-[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]propanoic acid IUPAC Name: 2-amino-2-methyl-3-oxo-3-[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]propanoic acid Traditional Name: 2-amino-3-keto-2-methyl-3-[4-[4-(2-pyrimidylamino)piperidino]phenyl]propionic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)N2CCC(CC2)NC3=NC=CC=N3)(C(=O)O)N

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)N2CCC(CC2)NC3=NC=CC=N3)(C(=O)O)N

InChI

InChI=1S/C19H23N5O3/c1-19(20,17(26)27)16(25)13-3-5-15(6-4-13)24-11-7-14(8-12-24)23-18-21-9-2-10-22-18/h2-6,9-10,14H,7-8,11-12,20H2,1H3,(H,26,27)(H,21,22,23)