sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenyl-propanoate

Systemtic Name: sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenyl-propanoate Openeye Name: sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenyl-propanoate CAS Name: sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenylpropanoate IUPAC Name: sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenylpropanoate Traditional Name: sodium (2S)-2-[[1-(methylcarbamoyl)cyclohexyl]amino]-3-phenyl-propionate Formula: C17H23N2NaO3 MolecularWeight: 326.36589

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCCCC1)NC(CC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CNC(=O)C1(CCCCC1)N[C@@H](CC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H24N2O3.Na/c1-18-16(22)17(10-6-3-7-11-17)19-14(15(20)21)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14,19H,3,6-7,10-12H2,1H3,(H,18,22)(H,20,21);/q;+1/p-1/t14-;/m0./s1