(E,5S)-5-(3-methylbutanoylamino)-6-phenyl-hex-3-enoic acid

Systemtic Name: (E,5S)-5-(3-methylbutanoylamino)-6-phenyl-hex-3-enoic acid Openeye Name: (E,5S)-5-(3-methylbutanoylamino)-6-phenyl-hex-3-enoic acid CAS Name: (E,5S)-5-[(3-methyl-1-oxobutyl)amino]-6-phenyl-3-hexenoic acid IUPAC Name: (E,5S)-5-(3-methylbutanoylamino)-6-phenylhex-3-enoic acid Traditional Name: (E,5S)-5-(isovalerylamino)-6-phenyl-hex-3-enoic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=O)N[C@@H](CC1=CC=CC=C1)/C=C/CC(=O)O

InChI

InChI=1S/C17H23NO3/c1-13(2)11-16(19)18-15(9-6-10-17(20)21)12-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3,(H,18,19)(H,20,21)/b9-6+/t15-/m1/s1