Chem
J-GLOBAL ID：200907087416472848   Nikkaji number：J275.286G

Org-2766

Org-2766
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H55N9O11S
Molecular formula furigana： C40-H55-N9-O11-S
Molecular weight： 869.990
InChI： InChI=1S/C40H55N9O11S/c1-61(59,60)19-17-28(42)35(52)45-30(15-16-34(50)51)37(54)48-32(22-27-23-43-24-44-27)39(56)47-31(20-25-10-4-2-5-11-25)38(55)46-29(14-8-9-18-41)36(53)49-33(40(57)58)21-26-12-6-3-7-13-26/h2-7,10-13,23-24,28-33H,8-9,14-22,41-42H2,1H3,(H,43,44)(H,45,52)(H,46,55)(H,47,56)(H,48,54)(H,49,53)(H,50,51)(H,57,58)/t28-,29+,30-,31-,32-,33-/m0/s1
InChI key： QUCFVNGGGFLOES-ACQYNFKHSA-N
SMILES： CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • 4-(メチルスルホニル)-L-Abu-L-Glu-L-His-L-Phe-D-Lys-L-Phe-OH
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1R)-5-アミノ-1-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}ペンチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-4-[(2S)-2-アミノ-4-メタンスルホニルブタンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(1R)-5-amino-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-amino-4-methanesulfonylbutanamido]butanoic acid
Other name (3)：
  • ORG-2766
  • 4-(Methylsulfonyl)-L-Abu-L-Glu-L-His-L-Phe-D-Lys-L-Phe-OH
  • Org-2766
CAS registry number： 50913-82-1
Application (1)：
anticonvulsant
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