3-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-2-(tert-butoxycarbonylamino)pent-3-enyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-3-enyl]thio]propanoic acid IUPAC Name: 3-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-2-(tert-butoxycarbonylamino)pent-3-enyl]thio]propionic acid Formula: C13H23NO4S MolecularWeight: 289.39102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CSCCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/C(CSCCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO4S/c1-5-6-10(9-19-8-7-11(15)16)14-12(17)18-13(2,3)4/h5-6,10H,7-9H2,1-4H3,(H,14,17)(H,15,16)/b6-5+