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

Systemtic Name: 2-[(2-methoxy-2-oxidanylidene-ethyl)-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[(2-methoxy-2-oxo-ethyl)-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-(2-methoxy-2-oxoethyl)amino]acetic acid IUPAC Name: 2-[(2-methoxy-2-oxoethyl)-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]acetic acid Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S2/c1-29-19(25)12-21(11-18(23)24)20(26)17-9-15(30)10-22(17)31(27,28)16-7-6-13-4-2-3-5-14(13)8-16/h2-8,15,17,30H,9-12H2,1H3,(H,23,24)