(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[(1R,2R)-2-methylcyclohexyl]amino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenyl-propionate Formula: C17H23N2O3- MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-12-7-5-6-10-14(12)18-17(22)19-15(16(20)21)11-13-8-3-2-4-9-13/h2-4,8-9,12,14-15H,5-7,10-11H2,1H3,(H,20,21)(H2,18,19,22)/p-1/t12-,14-,15+/m1/s1