Chem
J-GLOBAL ID：200907006213106820   Nikkaji number：J755.183E

Casomokinin L

カソモキニンL
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： C39H52N6O8
Molecular formula furigana： C39-H52-N6-O8
Molecular weight： 732.879
InChI： InChI=1S/C39H52N6O8/c1-24(2)21-30(39(52)53)42-35(48)32-12-7-19-44(32)38(51)33-13-8-20-45(33)37(50)29(23-25-9-4-3-5-10-25)41-34(47)31-11-6-18-43(31)36(49)28(40)22-26-14-16-27(46)17-15-26/h3-5,9-10,14-17,24,28-33,46H,6-8,11-13,18-23,40H2,1-2H3,(H,41,47)(H,42,48)(H,52,53)/t28-,29-,30-,31-,32-,33-/m0/s1
InChI key： SWFPGAOVDUHWNK-FSJACQRISA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Systematic name  (3)：
  • L-Tyr-L-Pro-L-Phe-L-Pro-L-Pro-L-Leu-OH
  • (2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-アミノ-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-フェニルプロパノイル]ピロリジン-2-カルボニル]ピロリジン-2-イル]ホルムアミド}-4-メチルペンタン酸
  • (2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Other name (2)：
  • カソモキニンL
  • Casomokinin L
CAS registry number： 154396-74-4
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