2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxycarbonylamino)propylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxycarbonylamino)propylsulfanyl]propanoic acid Openeye Name: 3-[1-(benzyloxycarbonylamino)propylsulfanyl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[1-(phenylmethoxycarbonylamino)propylthio]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxycarbonylamino)propylsulfanyl]propanoic acid Traditional Name: 3-[1-(benzyloxycarbonylamino)propylthio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)OCC1=CC=CC=C1)SCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(NC(=O)OCC1=CC=CC=C1)SCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O6S/c1-5-15(21-17(24)26-11-13-9-7-6-8-10-13)28-12-14(16(22)23)20-18(25)27-19(2,3)4/h6-10,14-15H,5,11-12H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)