(3S)-5-methyl-3-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]hexanoic acid

Systemtic Name: (3S)-5-methyl-3-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]hexanoic acid Openeye Name: (3S)-5-methyl-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]hexanoic acid CAS Name: (3S)-5-methyl-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]hexanoic acid IUPAC Name: (3S)-5-methyl-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]hexanoic acid Traditional Name: (3S)-3-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-5-methyl-hexanoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-12(2)9-14(11-17(20)21)10-16(19)18-13(3)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1