4-methylsulfanyl-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]butanoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-4-(methylthio)butyric acid Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C20H24N2O5S3/c1-29-9-8-17(20(24)25)21-19(23)18-11-15(28)12-22(18)30(26,27)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17-18,28H,8-9,11-12H2,1H3,(H,21,23)(H,24,25)