1-[4-[[5-(4-ethoxycarbonylpiperidin-1-yl)carbonyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[5-(4-ethoxycarbonylpiperidin-1-yl)carbonyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[5-[(4-ethoxycarbonyl-1-piperidinyl)-oxomethyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[5-(4-carbethoxypiperidine-1-carbonyl)-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)prolyl]isonipecotic acid Formula: C44H50N4O10S4 MolecularWeight: 923.1486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)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)N8CCC(CC8)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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)N8CCC(CC8)C(=O)O

InChI

InChI=1S/C44H50N4O10S4/c1-2-58-44(53)32-17-21-46(22-18-32)42(50)40-26-36(28-48(40)62(56,57)38-14-12-30-8-4-6-10-34(30)24-38)60-59-35-25-39(41(49)45-19-15-31(16-20-45)43(51)52)47(27-35)61(54,55)37-13-11-29-7-3-5-9-33(29)23-37/h3-14,23-24,31-32,35-36,39-40H,2,15-22,25-28H2,1H3,(H,51,52)