(3S)-3-cyclohexyl-3-[methyl(phenylmethoxycarbonyl)amino]propanoic acid

Systemtic Name: (3S)-3-cyclohexyl-3-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Openeye Name: (3S)-3-[benzyloxycarbonyl(methyl)amino]-3-cyclohexyl-propanoic acid CAS Name: (3S)-3-cyclohexyl-3-[methyl(phenylmethoxycarbonyl)amino]propanoic acid IUPAC Name: (3S)-3-cyclohexyl-3-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Traditional Name: (3S)-3-[carbobenzoxy(methyl)amino]-3-cyclohexyl-propionic acid Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(=O)O)C1CCCCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN([C@@H](CC(=O)O)C1CCCCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO4/c1-19(18(22)23-13-14-8-4-2-5-9-14)16(12-17(20)21)15-10-6-3-7-11-15/h2,4-5,8-9,15-16H,3,6-7,10-13H2,1H3,(H,20,21)/t16-/m0/s1