2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanyl-butanoic acid Openeye Name: 3-allylsulfanyl-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(prop-2-enylthio)butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylbutanoic acid Traditional Name: 3-(allylthio)-2-(tert-butoxycarbonylamino)butyric acid Formula: C12H21NO4S MolecularWeight: 275.36444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4S/c1-6-7-18-8(2)9(10(14)15)13-11(16)17-12(3,4)5/h6,8-9H,1,7H2,2-5H3,(H,13,16)(H,14,15)