1-[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]acetyl]isonipecotic acid Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC(CC1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC(=O)N1CCC(CC1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C24H29N3O6S2/c1-25(15-22(28)26-10-8-17(9-11-26)24(30)31)23(29)21-13-19(34)14-27(21)35(32,33)20-7-6-16-4-2-3-5-18(16)12-20/h2-7,12,17,19,21,34H,8-11,13-15H2,1H3,(H,30,31)