3-[(2-cyanophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[(2-cyanophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(2-cyanophenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-cyanophenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(2-cyanophenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(2-cyanobenzyl)thio]propionic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1C#N)C(=O)O

InChI

InChI=1S/C16H20N2O4S/c1-16(2,3)22-15(21)18-13(14(19)20)10-23-9-12-7-5-4-6-11(12)8-17/h4-7,13H,9-10H2,1-3H3,(H,18,21)(H,19,20)