2-[carboxy-[2-[4-(4-methylpyridin-2-yl)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[4-(4-methylpyridin-2-yl)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(4-methyl-2-pyridyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[4-(4-methyl-2-pyridinyl)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[4-(4-methylpyridin-2-yl)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(4-methyl-2-pyridyl)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=CC=C(C=C2)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)C2=CC=C(C=C2)CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-14(2)12-19(20(24)25)23(21(26)27)11-9-16-4-6-17(7-5-16)18-13-15(3)8-10-22-18/h4-8,10,13-14,19H,9,11-12H2,1-3H3,(H,24,25)(H,26,27)