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

Systemtic Name: 2-[2-[methyl-[1-(naphthalen-2-ylcarbamoyl)-4-sulfanyl-pyrrolidin-2-yl]carbonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[methyl-[1-(2-naphthylcarbamoyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[[[4-mercapto-1-[(2-naphthalenylamino)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[methyl-[1-(naphthalen-2-ylcarbamoyl)-4-sulfanylpyrrolidine-2-carbonyl]amino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[[4-mercapto-1-(2-naphthylcarbamoyl)prolyl]-methyl-amino]acetyl]amino]benzoic acid Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C(=O)C2CC(CN2C(=O)NC3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)O)C(=O)C2CC(CN2C(=O)NC3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C26H26N4O5S/c1-29(15-23(31)28-21-9-5-4-8-20(21)25(33)34)24(32)22-13-19(36)14-30(22)26(35)27-18-11-10-16-6-2-3-7-17(16)12-18/h2-12,19,22,36H,13-15H2,1H3,(H,27,35)(H,28,31)(H,33,34)