4-methyl-2-[2-(phenylmethyl)prop-2-enoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-(phenylmethyl)prop-2-enoylamino]pentanoic acid Openeye Name: 2-(2-benzylprop-2-enoylamino)-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethyl)prop-2-enyl]amino]pentanoic acid IUPAC Name: 2-(2-benzylprop-2-enoylamino)-4-methylpentanoic acid Traditional Name: 2-[(2-benzylacryloyl)amino]-4-methyl-valeric acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-11(2)9-14(16(19)20)17-15(18)12(3)10-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,18)(H,19,20)