Chem
J-GLOBAL ID：200907035341570610   Nikkaji number：J976.585I

Tynorphin

チノルフィン
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： C35H46N6O7
Molecular formula furigana： C35-H46-N6-O7
Molecular weight： 662.788
InChI： InChI=1S/C35H46N6O7/c1-19(2)29(36)32(44)40-30(20(3)4)33(45)38-26(16-21-11-13-23(42)14-12-21)34(46)41-15-7-10-28(41)31(43)39-27(35(47)48)17-22-18-37-25-9-6-5-8-24(22)25/h5-6,8-9,11-14,18-20,26-30,37,42H,7,10,15-17,36H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)(H,47,48)/t26-,27-,28-,29-,30-/m0/s1
InChI key： WLWBANYDSJWZBI-IIZANFQQSA-N
SMILES： CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (3)：
  • L-Val-L-Val-L-Tyr-L-Pro-L-Trp-OH
  • (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-メチルブタンアミド]-3-メチルブタンアミド]-3-(4-ヒドロキシフェニル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパン酸
  • (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Other name (4)：
  • VVヘモルフィン3
  • VV-hemorphin 3
  • チノルフィン
  • Tynorphin
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