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Substance Name: Triprolyl angiotensin II
RN: 77119-79-0
InChIKey: XBZYWRAAKBCWSV-DJQQXEBLSA-N

Molecular Formula

  • C65-H92-N16-O15

Molecular Weight

  • 1337.5388
 
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Names and Synonyms

Name of Substance

  • Triprolyl angiotensin II

Synonyms

  • (Pro)3 aii
  • Angiotensin II, N-(1-(1-prolyl-prolyl)-prolyl)-isoleucine(5)-
  • Angiotensin II, pro-pro-pro-
  • Angiotensin II, prolyl, prolyl, proline-
  • Pro-pro-pro-angiotensinii

Systematic Name

  • Angiotensin II, N-(1-(1-L-prolyl-L-prolyl)-L-prolyl)-5-L-isoleucine-

Registry Numbers

CAS Registry Number

  • 77119-79-0

System Generated Number

  • 0077119790

Structure Descriptors

InChI

1S/C65H92N16O15/c1-5-37(4)53(60(91)75-46(32-40-34-68-35-71-40)62(93)79-27-11-18-48(79)58(89)76-47(64(95)96)31-38-14-7-6-8-15-38)78-56(87)44(30-39-21-23-41(82)24-22-39)74-59(90)52(36(2)3)77-54(85)42(16-9-26-70-65(66)67)72-55(86)45(33-51(83)84)73-57(88)49-19-12-28-80(49)63(94)50-20-13-29-81(50)61(92)43-17-10-25-69-43/h6-8,14-15,21-24,34-37,42-50,52-53,69,82H,5,9-13,16-20,25-33H2,1-4H3,(H,68,71)(H,72,86)(H,73,88)(H,74,90)(H,75,91)(H,76,89)(H,77,85)(H,78,87)(H,83,84)(H,95,96)(H4,66,67,70)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,52-,53-/m0/s1

InChIKey

XBZYWRAAKBCWSV-DJQQXEBLSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4)C(C)C)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](Cc7ccccc7)C(=O)O