(phenylmethyl) 2-(phenylmethoxycarbonylamino)-4,4-bis(phenylmethylsulfanyl)butanoate

Systemtic Name: (phenylmethyl) 2-(phenylmethoxycarbonylamino)-4,4-bis(phenylmethylsulfanyl)butanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-4,4-bis(benzylsulfanyl)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)-4,4-bis(phenylmethylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,4-bis(benzylsulfanyl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4,4-bis(benzylthio)butyric acid benzyl ester Formula: C33H33NO4S2 MolecularWeight: 571.74942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(SCC2=CC=CC=C2)SCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC(SCC2=CC=CC=C2)SCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H33NO4S2/c35-32(37-22-26-13-5-1-6-14-26)30(34-33(36)38-23-27-15-7-2-8-16-27)21-31(39-24-28-17-9-3-10-18-28)40-25-29-19-11-4-12-20-29/h1-20,30-31H,21-25H2,(H,34,36)