4-[methyl-[2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]ethanoyl]amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C(=O)CNC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C(=O)CNC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H25N3O6S2/c1-27(19-9-6-17(7-10-19)25(31)32)23(29)14-26-24(30)22-13-20(35)15-28(22)36(33,34)21-11-8-16-4-2-3-5-18(16)12-21/h2-12,20,22,35H,13-15H2,1H3,(H,26,30)(H,31,32)