1-[2-azanyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propanoyl]-4-methyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propanoyl]-4-methyl-piperidine-2-carboxylic acid Openeye Name: 1-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-piperidine-2-carboxylic acid CAS Name: 1-[2-amino-1-oxo-3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-4-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methylpiperidine-2-carboxylic acid Traditional Name: 1-[2-amino-3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propanoyl]-4-methyl-pipecolinic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C(=O)O)C(=O)C(CC2=CCCN(C2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1CCN(C(C1)C(=O)O)C(=O)C(CC2=CCCN(C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H31N3O3/c1-16-9-11-25(20(12-16)22(27)28)21(26)19(23)13-18-8-5-10-24(15-18)14-17-6-3-2-4-7-17/h2-4,6-8,16,19-20H,5,9-15,23H2,1H3,(H,27,28)