(2S)-3-[4-(2-ethoxysulfonylpropan-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(2-ethoxysulfonylpropan-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(1-ethoxysulfonyl-1-methyl-ethyl)phenyl]propanoic acid CAS Name: (2S)-3-[4-(2-ethoxysulfonylpropan-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[4-(2-ethoxysulfonylpropan-2-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(1-ethoxysulfonyl-1-methyl-ethyl)phenyl]propionic acid Formula: C22H27NO7S MolecularWeight: 449.51728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C)(C)C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOS(=O)(=O)C(C)(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7S/c1-4-30-31(27,28)22(2,3)18-12-10-16(11-13-18)14-19(20(24)25)23-21(26)29-15-17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1