(phenylmethyl) 2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)-4-(phenylmethyl)sulfinyl-butanoate

Systemtic Name: (phenylmethyl) 2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)-4-(phenylmethyl)sulfinyl-butanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-4-benzylsulfanyl-4-benzylsulfinyl-butanoate CAS Name: 2-(phenylmethoxycarbonylamino)-4-(phenylmethyl)sulfinyl-4-(phenylmethylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzylsulfanyl-4-benzylsulfinyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-benzylsulfinyl-4-(benzylthio)butyric acid benzyl ester Formula: C33H33NO5S2 MolecularWeight: 587.74882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(SCC2=CC=CC=C2)S(=O)CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC(SCC2=CC=CC=C2)S(=O)CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H33NO5S2/c35-32(38-22-26-13-5-1-6-14-26)30(34-33(36)39-23-27-15-7-2-8-16-27)21-31(40-24-28-17-9-3-10-18-28)41(37)25-29-19-11-4-12-20-29/h1-20,30-31H,21-25H2,(H,34,36)