3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]propanoic acid

Systemtic Name: 3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]propanoic acid Openeye Name: 3-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]propanoic acid IUPAC Name: 3-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]propionic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-20(9-8-18(22)23)19(24)17-11-15(27)12-21(17)28(25,26)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,17,27H,8-9,11-12H2,1H3,(H,22,23)