4-[[4-[[5-[[(4-methoxycarbonylphenyl)carbonylamino]methyl]-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-1-ylsulfonyl-pyrrolidin-2-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 4-[[4-[[5-[[(4-methoxycarbonylphenyl)carbonylamino]methyl]-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-1-ylsulfonyl-pyrrolidin-2-yl]methylcarbamoyl]benzoic acid Openeye Name: 4-[[4-[[5-[[(4-methoxycarbonylbenzoyl)amino]methyl]-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]methylcarbamoyl]benzoic acid CAS Name: 4-[[[4-[[5-[[[(4-methoxycarbonylphenyl)-oxomethyl]amino]methyl]-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]-1-(1-naphthalenylsulfonyl)-2-pyrrolidinyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-[[5-[[(4-methoxycarbonylbenzoyl)amino]methyl]-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]disulfanyl]-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]methylcarbamoyl]benzoic acid Traditional Name: 4-[[4-[[5-[[(4-carbomethoxybenzoyl)amino]methyl]-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(1-naphthylsulfonyl)pyrrolidin-2-yl]methylcarbamoyl]benzoic acid Formula: C47H44N4O10S4 MolecularWeight: 953.13306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2CC(CN2S(=O)(=O)C3=CC=CC4=CC=CC=C43)SSC5CC(N(C5)S(=O)(=O)C6=CC=CC7=CC=CC=C76)CNC(=O)C8=CC=C(C=C8)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2CC(CN2S(=O)(=O)C3=CC=CC4=CC=CC=C43)SSC5CC(N(C5)S(=O)(=O)C6=CC=CC7=CC=CC=C76)CNC(=O)C8=CC=C(C=C8)C(=O)O

InChI

InChI=1S/C47H44N4O10S4/c1-61-47(56)35-22-18-33(19-23-35)45(53)49-27-37-25-39(29-51(37)65(59,60)43-15-7-11-31-9-3-5-13-41(31)43)63-62-38-24-36(26-48-44(52)32-16-20-34(21-17-32)46(54)55)50(28-38)64(57,58)42-14-6-10-30-8-2-4-12-40(30)42/h2-23,36-39H,24-29H2,1H3,(H,48,52)(H,49,53)(H,54,55)