4-[[5-[methyl-(phenylmethyl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[[5-[methyl-(phenylmethyl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-[[5-[benzyl(methyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[[5-[benzyl(methyl)carbamoyl]-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-[[5-[benzyl(methyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)proline Formula: C38H37N3O7S4 MolecularWeight: 775.97628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SSC5CC(N(C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)SSC5CC(N(C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6)C(=O)O

InChI

InChI=1S/C38H37N3O7S4/c1-39(23-26-9-3-2-4-10-26)37(42)35-21-31(24-40(35)51(45,46)33-17-15-27-11-5-7-13-29(27)19-33)49-50-32-22-36(38(43)44)41(25-32)52(47,48)34-18-16-28-12-6-8-14-30(28)20-34/h2-20,31-32,35-36H,21-25H2,1H3,(H,43,44)