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

Systemtic Name: 4-[(1-naphthalen-2-ylcarbonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[[1-(naphthalene-2-carbonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-mercapto-1-[2-naphthalenyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(naphthalene-2-carbonyl)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-mercapto-1-(2-naphthoyl)prolyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c26-21(24-18-9-7-15(8-10-18)23(28)29)20-12-19(30)13-25(20)22(27)17-6-5-14-3-1-2-4-16(14)11-17/h1-11,19-20,30H,12-13H2,(H,24,26)(H,28,29)