2-azanyl-4-methyl-pentanoic acid; 3-phenyl-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 3-phenyl-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[[oxo(3-pyridinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-nicotinamido-3-phenyl-propionic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H14N2O3.C6H13NO2/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11;1-4(2)3-5(7)6(8)9/h1-8,10,13H,9H2,(H,17,18)(H,19,20);4-5H,3,7H2,1-2H3,(H,8,9)