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Substance Name: IRI-426
RN: 103143-78-8
UNII: SEG3J6F5US
InChIKey: CBRZLECMSULEQH-AQBORDMYSA-N

Molecular Formula

  • C31-H47-N9-O8

Molecular Weight

  • 673.7604
 
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Names and Synonyms

Name of Substance

  • IRI-426

Synonyms

  • Ac-Arg-Pro-Asp-Val-Phe-NH2
  • IRI-426
  • L-Phenylalaninamide, N2-acetyl-L-arginyl-L-prolyl-L-alpha-aspartyl-L-valyl-
  • UNII-SEG3J6F5US

Registry Numbers

CAS Registry Number

  • 103143-78-8

FDA UNII

  • SEG3J6F5US

System Generated Number

  • 0103143788

Structure Descriptors

InChI

1S/C31H47N9O8/c1-17(2)25(29(47)37-21(26(32)44)15-19-9-5-4-6-10-19)39-27(45)22(16-24(42)43)38-28(46)23-12-8-14-40(23)30(48)20(36-18(3)41)11-7-13-35-31(33)34/h4-6,9-10,17,20-23,25H,7-8,11-16H2,1-3H3,(H2,32,44)(H,36,41)(H,37,47)(H,38,46)(H,39,45)(H,42,43)(H4,33,34,35)/t20-,21-,22-,23-,25-/m0/s1

InChIKey

CBRZLECMSULEQH-AQBORDMYSA-N

Smiles

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N