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Substance Name: Endothelin converting enzyme substrate
RN: 133752-35-9
InChIKey: CJTNQOINDCUPHE-FZONESBBSA-N

Note

  • N-acylated tridecapeptide; contains a 5-(2-aminoethylamino)-1-naphthalenesulfonic acid group on the Glu residue.

Molecular Formula

  • C84-H117-N21-O23-S

Molecular Weight

  • 1821.04
 
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Names and Synonyms

Name of Substance

  • Endothelin converting enzyme substrate

Synonym

  • Ece substrate

Systematic Name

  • Glyine, N-acetyl-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophyl-L-asparaginyl-L-threonyl-L-prolyl-N-(2-((5-sulfo-1-naphthalenyl)amino)ethyl)-L-glutaminyl-L-histidyl-

Registry Numbers

CAS Registry Number

  • 133752-35-9

System Generated Number

  • 0133752359

Structure Descriptors

InChI

1S/C84H117N21O23S/c1-11-44(7)70(103-83(124)71(45(8)12-2)102-79(120)62(35-67(110)111)98-75(116)57(30-42(3)4)96-76(117)60(94-47(10)107)33-50-38-87-41-93-50)82(123)99-58(31-48-36-90-54-21-14-13-18-51(48)54)77(118)101-69(43(5)6)81(122)100-61(34-65(85)108)78(119)104-72(46(9)106)84(125)105-29-17-23-63(105)80(121)95-56(74(115)97-59(32-49-37-86-40-92-49)73(114)91-39-68(112)113)25-26-66(109)89-28-27-88-55-22-15-20-53-52(55)19-16-24-64(53)129(126,127)128/h13-16,18-22,24,36-38,40-46,56-63,69-72,88,90,106H,11-12,17,23,25-35,39H2,1-10H3,(H2,85,108)(H,86,92)(H,87,93)(H,89,109)(H,91,114)(H,94,107)(H,95,121)(H,96,117)(H,97,115)(H,98,116)(H,99,123)(H,100,122)(H,101,118)(H,102,120)(H,103,124)(H,104,119)(H,110,111)(H,112,113)(H,126,127,128)/t44-,45-,46+,56-,57-,58-,59-,60-,61-,62-,63-,69-,70?,71-,72-/m0/s1

InChIKey

CJTNQOINDCUPHE-FZONESBBSA-N

Smiles

n1cc([nH]c1)C[C@H](NC([C@@H](NC([C@H]1N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)=O)CC(O)=O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)Cc2c[nH]c3ccccc23)=O)C(C)C)=O)CC(N)=O)=O)[C@@H](C)O)=O)CCC1)=O)CCC(NCCNc1c2c(ccc1)c(ccc2)S(O)(=O)=O)=O)=O)C(=O)NCC(O)=O