3-[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetyl]amino]benzoic acid Traditional Name: 3-[[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(=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC(=O)NC1=CC=CC(=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

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