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Substance Name: Tiplimotide [INN]
RN: 178823-49-9
UNII: 6VN101530Y
InChIKey: NITUEMISTORFON-PPFXTMJRSA-N

Note

  • An altered peptide ligand (APL).

Molecular Formula

  • C87-H142-N24-O21

Molecular Weight

  • 1860.2258
 
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Names and Synonyms

Name of Substance

  • Tiplimotide [INN]

Synonyms

  • D-Alanyl-L-lysyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-leucyl-L-phenylalanyl-L-alanyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonyl-L-prolinamide
  • NBI 5788
  • NBI5788
  • Tiplimotide
  • UNII-6VN101530Y

Systematic Name

  • L-Proline, D-alanyl-L-lysyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-leucyl-L-phenylalanyl-L-alanyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonyl-

Registry Numbers

CAS Registry Number

  • 178823-49-9

FDA UNII

  • 6VN101530Y

System Generated Number

  • 0178823499

Structure Descriptors

InChI

1S/C87H142N24O21/c1-15-47(10)67(82(127)105-66(46(8)9)81(126)108-69(51(14)113)84(129)110-35-23-29-60(110)77(122)97-54(28-21-33-94-87(91)92)72(117)107-68(50(13)112)85(130)111-36-24-31-62(111)86(131)132)106-76(121)59(40-63(90)114)99-71(116)49(12)96-73(118)57(38-52-25-17-16-18-26-52)101-74(119)56(37-43(2)3)100-75(120)58(39-53-41-93-42-95-53)102-79(124)64(44(4)5)104-80(125)65(45(6)7)103-78(123)61-30-22-34-109(61)83(128)55(27-19-20-32-88)98-70(115)48(11)89/h16-18,25-26,41-51,54-62,64-69,112-113H,15,19-24,27-40,88-89H2,1-14H3,(H2,90,114)(H,93,95)(H,96,118)(H,97,122)(H,98,115)(H,99,116)(H,100,120)(H,101,119)(H,102,124)(H,103,123)(H,104,125)(H,105,127)(H,106,121)(H,107,117)(H,108,126)(H,131,132)(H4,91,92,94)/t47-,48+,49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

NITUEMISTORFON-PPFXTMJRSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)O