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

Systemtic Name: 2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]acetic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-19(11-17(21)22)18(23)16-9-14(26)10-20(16)27(24,25)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14,16,26H,9-11H2,1H3,(H,21,22)