2-[carboxy-[2-[methyl-(phenylmethyl)amino]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[methyl-(phenylmethyl)amino]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-[benzyl(methyl)amino]ethyl-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[methyl-(phenylmethyl)amino]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-[benzyl(methyl)amino]ethyl-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[2-[benzyl(methyl)amino]ethyl-carboxy-amino]-4-methyl-valeric acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCN(C)CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCN(C)CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H26N2O4/c1-13(2)11-15(16(20)21)19(17(22)23)10-9-18(3)12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,20,21)(H,22,23)