3-[bis(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[bis(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[bis(4-methoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[bis(4-methoxyphenyl)methylthio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[bis(4-methoxyphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(4-methoxyphenyl)methylthio]propionic acid Formula: C26H27NO6S MolecularWeight: 481.56068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)SCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)SCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO6S/c1-31-21-12-8-19(9-13-21)24(20-10-14-22(32-2)15-11-20)34-17-23(25(28)29)27-26(30)33-16-18-6-4-3-5-7-18/h3-15,23-24H,16-17H2,1-2H3,(H,27,30)(H,28,29)