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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(phenylmethylsulfanyl)methylsulfanyl]propanoic acid Openeye Name: 3-(benzylsulfanylmethylsulfanyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(phenylmethylthio)methylthio]propanoic acid IUPAC Name: 3-(benzylsulfanylmethylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(benzylthio)methylthio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C16H23NO4S2 MolecularWeight: 357.48812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H23NO4S2/c1-16(2,3)21-15(20)17-13(14(18)19)10-23-11-22-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)