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

Systemtic Name: 4-[3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]propanoylamino]benzoic acid Openeye Name: 4-[3-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]propanoylamino]benzoic acid CAS Name: 4-[[3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]propanoylamino]benzoic acid Traditional Name: 4-[3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]propanoylamino]benzoic acid Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H25N3O6S2/c29-23(27-19-8-5-17(6-9-19)25(31)32)11-12-26-24(30)22-14-20(35)15-28(22)36(33,34)21-10-7-16-3-1-2-4-18(16)13-21/h1-10,13,20,22,35H,11-12,14-15H2,(H,26,30)(H,27,29)(H,31,32)