(2S)-2-(hexylcarbamoylamino)-2-phenyl-propanoate

Systemtic Name: (2S)-2-(hexylcarbamoylamino)-2-phenyl-propanoate Openeye Name: (2S)-2-(hexylcarbamoylamino)-2-phenyl-propanoate CAS Name: (2S)-2-[[(hexylamino)-oxomethyl]amino]-2-phenylpropanoate IUPAC Name: (2S)-2-(hexylcarbamoylamino)-2-phenylpropanoate Traditional Name: (2S)-2-(hexylcarbamoylamino)-2-phenyl-propionate Formula: C16H23N2O3- MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(C)(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)N[C@@](C)(C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-3-4-5-9-12-17-15(21)18-16(2,14(19)20)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,19,20)(H2,17,18,21)/p-1/t16-/m0/s1