(3S)-5-methyl-3-[(3-phenylpropanoylamino)methyl]hexanoic acid

Systemtic Name: (3S)-5-methyl-3-[(3-phenylpropanoylamino)methyl]hexanoic acid Openeye Name: (3S)-5-methyl-3-[(3-phenylpropanoylamino)methyl]hexanoic acid CAS Name: (3S)-5-methyl-3-[[(1-oxo-3-phenylpropyl)amino]methyl]hexanoic acid IUPAC Name: (3S)-5-methyl-3-[(3-phenylpropanoylamino)methyl]hexanoic acid Traditional Name: (3S)-3-[(hydrocinnamoylamino)methyl]-5-methyl-hexanoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO3/c1-13(2)10-15(11-17(20)21)12-18-16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1