(3S)-4-(cyclohexylamino)-4-oxidanylidene-3-(phenylmethyl)butanoate

Systemtic Name: (3S)-4-(cyclohexylamino)-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: (3S)-3-benzyl-4-(cyclohexylamino)-4-oxo-butanoate CAS Name: (3S)-4-(cyclohexylamino)-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: (3S)-3-benzyl-4-(cyclohexylamino)-4-oxobutanoate Traditional Name: (3S)-3-benzyl-4-(cyclohexylamino)-4-keto-butyrate Formula: C17H22NO3- MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](CC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C17H23NO3/c19-16(20)12-14(11-13-7-3-1-4-8-13)17(21)18-15-9-5-2-6-10-15/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,18,21)(H,19,20)/p-1/t14-/m0/s1