3-(4-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-carbamothioylphenyl)propanoic acid CAS Name: 3-(4-carbamothioylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-thiocarbamoylphenyl)propionic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=S)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=S)N)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-9-4-6-10(7-5-9)12(16)22/h4-7,11H,8H2,1-3H3,(H2,16,22)(H,17,20)(H,18,19)