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Substance Name: Npc 17731
RN: 147267-10-5
InChIKey: WYWZCALINPVKJW-KOCZGPIPSA-N

Note

  • Bradykinin receptor antagonist.

Molecular Formula

  • C59-H95-N19-O14

Molecular Weight

  • 1294.5185
 
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Names and Synonyms

Name of Substance

  • Npc 17731

Synonyms

  • Arg-arg-pro-hyp-gly-phe-ser-hype (transpropyl)-oic-arg
  • Npc-17731

Systematic Name

  • Bradykinin, N2-D-arginyl-3-(trans-4-hydroxy-L-proline)-7-(trans-4-propoxy-D-proline)-8-(L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carboxylic acid)-

Registry Numbers

CAS Registry Number

  • 147267-10-5

System Generated Number

  • 0147267105

Structure Descriptors

InChI

1S/C59H95N19O14/c1-2-23-92-35-27-42(71-29-35)53(88)78(54(89)43-25-33-13-6-7-15-38(33)73-43)59(55(90)91,48(83)44(31-79)76-51(86)41(24-32-11-4-3-5-12-32)74-46(81)30-72-50(85)40-26-34(80)28-70-40)36(18-21-69-58(65)66)47(82)45-17-10-22-77(45)52(87)39(16-9-20-68-57(63)64)75-49(84)37(60)14-8-19-67-56(61)62/h3-5,11-12,33-45,70-71,73,79-80H,2,6-10,13-31,60H2,1H3,(H,72,85)(H,74,81)(H,75,84)(H,76,86)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,34?,35-,36?,37+,38-,39-,40-,41-,42+,43?,44-,45-,59-/m0/s1

InChIKey

WYWZCALINPVKJW-KOCZGPIPSA-N

Smiles

CCCO[C@H]1C[C@@H](NC1)C(=O)N(C(=O)C2C[C@@H]3CCCC[C@@H]3N2)[C@@](C(CCNC(=N)N)C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)(C(=O)[C@H](CO)NC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@@H]6CC(CN6)O)C(=O)O