sodium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoate

Systemtic Name: sodium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoate Openeye Name: sodium (2R)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propanoate CAS Name: sodium (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoate IUPAC Name: sodium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoate Traditional Name: sodium (2R)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propionate Formula: C19H26NNaO3 MolecularWeight: 339.40441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3.Na/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14;/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23);/q;+1/p-1/t15?,16?,17-;/m1./s1