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

Systemtic Name: 4-[2-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]ethanoylamino]benzoic acid Openeye Name: 4-[[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]amino]benzoic acid IUPAC Name: 4-[[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]amino]benzoic acid Formula: C24H23N3O6S2 MolecularWeight: 513.58592

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H23N3O6S2/c28-22(26-18-8-5-16(6-9-18)24(30)31)13-25-23(29)21-12-19(34)14-27(21)35(32,33)20-10-7-15-3-1-2-4-17(15)11-20/h1-11,19,21,34H,12-14H2,(H,25,29)(H,26,28)(H,30,31)