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Substance Name: Cgp 44099
RN: 128856-81-5
InChIKey: YUXPQHJPUCVLDD-XRXKPZFBSA-N

Molecular Formula

  • C69-H104-N14-O13

Molecular Weight

  • 1337.67
 
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Names and Synonyms

Name of Substance

  • Cgp 44099

Synonyms

  • (2S-(2R*,4R*,5R*))-N-(N-(6-Cyclohexyl-4-hydroxy-2-(1-methylethyl)-1-oxo-5-((N-(N-(1-(N2-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-L-arginyl)-L-prolyl)-L-phenylalanyl)-L-valyl)amino)hexyl)-1-valyl)-L-tyrosine methyl ester
  • Cgp 44 099

Systematic Name

  • L-Tyrosine, N-(N-(6-cyclohexyl-4-hydroxy-2-(1-methylethyl)-1-oxo-5-((N-(N-(1-(N2-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-L-arginyl)-L-prolyl)-L-phenylalanyl)-L-valyl)amino)hexyl)-1-valyl)-, methyl ester, (2S-(2R*,4R*,5R*))-

Registry Numbers

CAS Registry Number

  • 128856-81-5

System Generated Number

  • 0128856815

Structure Descriptors

InChI

1S/C69H104N14O13/c1-41(2)49(59(86)81-57(42(3)4)64(91)79-54(66(93)95-7)38-46-29-31-48(84)32-30-46)39-56(85)52(36-44-20-11-8-12-21-44)77-63(90)58(43(5)6)82-61(88)53(37-45-22-13-9-14-23-45)78-62(89)55-28-19-35-83(55)65(92)51(27-18-34-75-68(72)73)76-60(87)50(26-17-33-74-67(70)71)80-69(94)96-40-47-24-15-10-16-25-47/h9-10,13-16,22-25,29-32,41-44,49-58,84-85H,8,11-12,17-21,26-28,33-40H2,1-7H3,(H,76,87)(H,77,90)(H,78,89)(H,79,91)(H,80,94)(H,81,86)(H,82,88)(H4,70,71,74)(H4,72,73,75)/t49?,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

YUXPQHJPUCVLDD-XRXKPZFBSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](C[C@@H]([C@H](CC1CCCCC1)NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC(=O)OCc1ccccc1)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)Cc1ccccc1)=O)C(C)C)=O)O)C(C)C)=O)C(C)C)=O)Cc1ccc(O)cc1)(=O)OC