Chem
J-GLOBAL ID：200907023718731291   Nikkaji number：J1.543.541K

Novokinin

ノボキニン
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： C39H61N11O7
Molecular formula furigana： C39-H61-N11-O7
Molecular weight： 795.987
InChI： InChI=1S/C39H61N11O7/c1-23(2)20-29(47-34(52)31-14-8-18-49(31)36(54)26(41)11-7-17-44-39(42)43)33(51)46-28(13-5-6-16-40)37(55)50-19-9-15-32(50)35(53)48-30(38(56)57)21-24-22-45-27-12-4-3-10-25(24)27/h3-4,10,12,22-23,26,28-32,45H,5-9,11,13-21,40-41H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,56,57)(H4,42,43,44)/t26-,28-,29-,30-,31-,32-/m0/s1
InChI key： WCJSVACAALWGRF-LQPYQXOBSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (4)：
  • L-Arg-L-Pro-L-Leu-L-Lys-L-Pro-L-Trp-OH
  • Arg-Pro-Leu-Lys-Pro-Trp-OH
  • (2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-[(2S)-2-{[(2S)-1-[(2S)-2-アミノ-5-カルバムイミドアミドペンタノイル]ピロリジン-2-イル]ホルムアミド}-4-メチルペンタンアミド]ヘキサノイル]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)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Other name (2)：
  • Novokinin
  • ノボキニン
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