2-methylsulfanyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)pyrrolidin-1-yl]butanoic acid

Systemtic Name: 2-methylsulfanyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)pyrrolidin-1-yl]butanoic acid Openeye Name: 2-[3-benzyl-3-(benzyloxycarbonylamino)-2-oxo-pyrrolidin-1-yl]-2-methylsulfanyl-butanoic acid CAS Name: 2-(methylthio)-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)-1-pyrrolidinyl]butanoic acid IUPAC Name: 2-[3-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-2-methylsulfanylbutanoic acid Traditional Name: 2-[3-benzyl-3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]-2-(methylthio)butyric acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(N1CCC(C1=O)(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)SC

Isomeric SMILES

CCC(C(=O)O)(N1CCC(C1=O)(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)SC

InChI

InChI=1S/C24H28N2O5S/c1-3-24(32-2,21(28)29)26-15-14-23(20(26)27,16-18-10-6-4-7-11-18)25-22(30)31-17-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3,(H,25,30)(H,28,29)