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

Systemtic Name: 4-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]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-(phenylmethyl)-1-pyrrolidinyl]butanoic acid IUPAC Name: 2-[3-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-benzyl-3-(benzyloxycarbonylamino)-2-keto-pyrrolidino]-4-(methylthio)butyric acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-32-15-12-20(21(27)28)26-14-13-24(22(26)29,16-18-8-4-2-5-9-18)25-23(30)31-17-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,25,30)(H,27,28)