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Substance Name: NPC 17761
RN: 147333-13-9
InChIKey: TTZWORQGJCRWCJ-UHFFFAOYSA-N

Note

  • Bradykinin receptor antagonist.

Molecular Weight

  • 1344.6
 
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Names and Synonyms

Name of Substance

  • NPC 17761

Synonyms

  • D-Arg(0)(hyp(3)-D-hype(trans-thiophenyl)(7),oic(8))bradykinin
  • Npc-17761

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147333-13-9

System Generated Number

  • 0147333139

Structure Descriptors

InChI

1S/C62H93N19O13S/c63-40(18-9-23-70-60(64)65)51(85)75-41(19-10-24-71-61(66)67)55(89)78-26-12-22-46(78)57(91)79-32-37(83)29-47(79)53(87)73-31-50(84)74-43(27-35-13-3-1-4-14-35)52(86)77-44(34-82)56(90)80-33-39(95-38-16-5-2-6-17-38)30-49(80)58(92)81-45-21-8-7-15-36(45)28-48(81)54(88)76-42(59(93)94)20-11-25-72-62(68)69/h1-6,13-14,16-17,36-37,39-49,82-83H,7-12,15,18-34,63H2,(H,73,87)(H,74,84)(H,75,85)(H,76,88)(H,77,86)(H,93,94)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)

InChIKey

TTZWORQGJCRWCJ-UHFFFAOYSA-N

Smiles

C(CCNC(N)=N)[C@@H](C(N[C@@H](C(N1[C@@H](C(N2C[C@@H](C[C@@H]2C(NCC(N[C@@H](C(N[C@@H](C(N2[C@@H](C(N3[C@@H](C(N[C@@H](CCCNC(N)=N)C(=O)O)=O)C[C@@H]4CCCC[C@@H]34)=O)C[C@@H](C2)Sc2ccccc2)=O)CO)=O)Cc2ccccc2)=O)=O)O)=O)CCC1)=O)CCCNC(N)=N)=O)N