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Substance Name: AZP-531
RN: 1088543-62-7
UNII: 9VHD7J6363
InChIKey: JXPWLIYXIWGWSA-CLBRJLNISA-N

Molecular Formula

  • C40-H63-N15-O13

Molecular Weight

  • 962.0297
 
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Names and Synonyms

Name of Substance

  • AZP-531

Synonyms

  • 3-((3S,6S,9S,12S,15S,18S,21S,24S)-6,15-Bis(3-amino-3-oxo-propyl)-12-(3-guanidinopropyl)-3-(hydroxymethyl)-18-(1H-imidazol-5-ylmethyl)-9-isopropyl-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo(22.3.0)heptacosan-21-yl)propanoic acid
  • AZP 531
  • AZP-531
  • Cyclo(L-arginyl-L-valyl-L-glutaminyl-L-seryl-L-prolyl-L-alpha-glutamyl-L-histidyl-L-glutaminyl)
  • UNII-9VHD7J6363

Registry Numbers

CAS Registry Number

  • 1088543-62-7

FDA UNII

  • 9VHD7J6363

System Generated Number

  • 1088543627

Structure Descriptors

InChI

1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1

InChIKey

JXPWLIYXIWGWSA-CLBRJLNISA-N

Smiles

CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC1=O