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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

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