2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid Openeye Name: 4-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[2-(phenylmethoxycarbonylamino)ethylthio]butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoic acid Traditional Name: 4-[2-(benzyloxycarbonylamino)ethylthio]-2-(tert-butoxycarbonylamino)butyric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSCCNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(25)21-15(16(22)23)9-11-28-12-10-20-17(24)26-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)