(2S)-2-(cyclohexylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(cyclohexylcarbonylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(cyclohexanecarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(cyclohexanecarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(cyclohexanecarbonylamino)-3-phenyl-propionate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,18)(H,19,20)/p-1/t14-/m0/s1