2-[[4-[[5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[[5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[[5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[[5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinyl]disulfanyl]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[[5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]disulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[[5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]disulfanyl]-1-(2-naphthylsulfonyl)prolyl]amino]-3-methyl-butyric acid Formula: C41H48N4O10S4 MolecularWeight: 885.10062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SSC4CC(N(C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SSC4CC(N(C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C41H48N4O10S4/c1-24(2)36(40(48)49)42-38(46)34-20-30(22-44(34)58(51,52)32-16-14-26-10-6-8-12-28(26)18-32)56-57-31-21-35(39(47)43-37(25(3)4)41(50)55-5)45(23-31)59(53,54)33-17-15-27-11-7-9-13-29(27)19-33/h6-19,24-25,30-31,34-37H,20-23H2,1-5H3,(H,42,46)(H,43,47)(H,48,49)