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Substance Name: 4-(4-Dimethylaminophenylazo)benzoyl-4-aminobutanoyl-isoleucyl-histidyl-prolyl-phenylalanyl-histidyl-leucyl-valyl-isoleucyl-histidyl-threonyl-5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid
RN: 142988-22-5
InChIKey: CGJPQEUXVOAPJM-WWUMQECYSA-N

Note

  • Used for measuring the proteolytic activity of renin.

Molecular Formula

  • C90-H120-N22-O16-S

Molecular Weight

  • 1800.1578
 
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Names and Synonyms

Name of Substance

  • 4-(4-Dimethylaminophenylazo)benzoyl-4-aminobutanoyl-isoleucyl-histidyl-prolyl-phenylalanyl-histidyl-leucyl-valyl-isoleucyl-histidyl-threonyl-5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid

Synonyms

  • Dabcyl-GABA-ile-his-pro-phe-his-leu-val-ile-his-thr-edans
  • Dabgab-ipfit-edans
  • N-(4-((4-((4-(Dimethylamino)phenyl)azo)benzoyl)amino)-1-oxobutyl)-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucyl-L-valyl-L-isoleucyl-L-histidyl-N-(2-((5-sulfo-1-naphthalenyl)amino)ethyl)-L-threoninamide

Systematic Name

  • L-Threoninamide, N-(4-((4-((4-(dimethylamino)phenyl)azo)benzoyl)amino)-1-oxobutyl)-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucyl-L-valyl-L-isoleucyl-L-histidyl-N-(2-((5-sulfo-1-naphthalenyl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 142988-22-5

System Generated Number

  • 0142988225

Structure Descriptors

InChI

1S/C90H119N21O16S.H3N/c1-12-55(7)79(104-77(114)28-19-37-95-81(115)59-29-31-60(32-30-59)107-108-61-33-35-65(36-34-61)109(10)11)87(121)102-72(44-63-47-92-51-97-63)89(123)110-39-20-26-74(110)85(119)101-70(42-58-21-15-14-16-22-58)82(116)100-71(43-62-46-91-50-96-62)83(117)99-69(41-53(3)4)84(118)105-78(54(5)6)86(120)106-80(56(8)13-2)88(122)103-73(45-64-48-93-52-98-64)90(124)111(75(49-112)57(9)113)40-38-94-68-25-17-24-67-66(68)23-18-27-76(67)128(125,126)127;/h14-18,21-25,27,29-36,46-57,69-75,78-80,94,113H,12-13,19-20,26,28,37-45H2,1-11H3,(H,91,96)(H,92,97)(H,93,98)(H,95,115)(H,99,117)(H,100,116)(H,101,119)(H,102,121)(H,103,122)(H,104,114)(H,105,118)(H,106,120)(H,125,126,127);1H3/b108-107+;/t55-,56-,57+,69-,70-,71-,72-,73-,74-,75+,78-,79-,80-;/m0./s1

InChIKey

CGJPQEUXVOAPJM-WWUMQECYSA-N

Smiles

N.CC[C@H](C)[C@H](NC(=O)CCCNC(=O)c1ccc(cc1)N=Nc2ccc(cc2)N(C)C)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc7cnc[nH]7)C(=O)N(CCNc8cccc9c(cccc89)S(=O)(=O)O)[C@H](C=O)[C@@H](C)O