(2S)-2-(2-benzamidoethanoylamino)-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-(2-benzamidoethanoylamino)-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2-benzamidoacetyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(2-benzamido-1-oxoethyl)amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2-benzamidoacetyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-(hippuroylamino)-4-methyl-valeric acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20N2O4/c1-10(2)8-12(15(20)21)17-13(18)9-16-14(19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t12-/m0/s1