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

Systemtic Name: 3-methyl-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]butanoic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-3-methyl-butyric acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-12(2)18(20(24)25)21-19(23)17-10-15(28)11-22(17)29(26,27)16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18,28H,10-11H2,1-2H3,(H,21,23)(H,24,25)