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Substance Name: CI 992
RN: 135704-06-2
InChIKey: IYMYORIPWWCOOB-VFFRCKCKSA-N

Molecular Formula

  • C33-H52-N6-O7-S2

Molecular Weight

  • 708.941
 
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Names and Synonyms

Name of Substance

  • CI 992

Synonyms

  • CI-992
  • N-(4-Morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-L-alaninamide
  • N-(4-Morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl)-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-L-alaninamide

Systematic Name

  • L-Alaninamide, N-(4-morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-

Registry Numbers

CAS Registry Number

  • 135704-06-2

System Generated Number

  • 0135704062

Structure Descriptors

InChI

1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-27(20-25-21-47-33(34)35-25)31(42)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,36,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,37,42,43)/t26-,27-,28-,29-,30+/m0/s1

InChIKey

IYMYORIPWWCOOB-VFFRCKCKSA-N

Smiles

C([C@@H](N[C@H]([C@H]([C@H](CC(C)C)O)O)CC1CCCCC1)Cc1nc(sc1)N)(=O)NC([C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)=O