(3S)-3-(4-tert-butylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-3-(4-tert-butylphenyl)propanoic acid CAS Name: (3S)-3-(4-tert-butylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-3-(4-tert-butylphenyl)propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-21(2,3)17-11-9-16(10-12-17)18(13-19(23)24)22-20(25)26-14-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1