(4-methoxyphenyl)methyl (2S,4S)-2-[[(4-methoxyphenyl)methoxycarbonyl-sulfamoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(4-methoxyphenyl)methoxycarbonyl-sulfamoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(4-methoxyphenyl)methoxycarbonyl-sulfamoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[(4-methoxyphenyl)methoxy-oxomethyl]-sulfamoylamino]methyl]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(4-methoxyphenyl)methoxycarbonyl-sulfamoylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[[p-anisyloxycarbonyl(sulfamoyl)amino]methyl]pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C23H29N3O8S2 MolecularWeight: 539.62166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CC(CC2CN(C(=O)OCC3=CC=C(C=C3)OC)S(=O)(=O)N)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2C[C@H](C[C@H]2CN(C(=O)OCC3=CC=C(C=C3)OC)S(=O)(=O)N)S

InChI

InChI=1S/C23H29N3O8S2/c1-31-19-7-3-16(4-8-19)14-33-22(27)25-13-21(35)11-18(25)12-26(36(24,29)30)23(28)34-15-17-5-9-20(32-2)10-6-17/h3-10,18,21,35H,11-15H2,1-2H3,(H2,24,29,30)/t18-,21-/m0/s1