Chem
J-GLOBAL ID：200907032334042617   Nikkaji number：J811.378E

Piperastatin A

ピペラスタチンA
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： C38H67N9O10
Molecular formula furigana： C38-H67-N9-O10
Molecular weight： 810.007
InChI： InChI=1S/C38H67N9O10/c1-10-23(8)30(39-19-48)34(52)45-31(24(9)49)35(53)42-25(17-20(2)3)32(50)44-29(22(6)7)37(55)46-27(13-11-15-40-46)33(51)43-26(18-21(4)5)36(54)47-28(38(56)57)14-12-16-41-47/h19-31,40-41,49H,10-18H2,1-9H3,(H,39,48)(H,42,53)(H,43,51)(H,44,50)(H,45,52)(H,56,57)/t23-,24-,25+,26+,27?,28?,29+,30+,31+/m1/s1
InChI key： XSYDGPSCZFVYJK-KTUQIRHFSA-N
SMILES： CC[C@@H](C)[C@H](NC=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1NCCCC1C(=O)N[C@@H](CC(C)C)C(=O)N1NCCCC1C(=O)O
Systematic name  (3)：
  • 2-[N-[[[2-(CHO-aIle-Thr-Leu-Val-)ヘキサヒドロピリダジン]-3-イル]カルボニル]-L-ロイシル]ヘキサヒドロピリダジン-3-カルボン酸
  • 2-[(2S)-2-({2-[(2S)-2-[(2S)-2-[(2S,3R)-3-ヒドロキシ-2-[(2S,3R)-2-ホルムアミド-3-メチルペンタンアミド]ブタンアミド]-4-メチルペンタンアミド]-3-メチルブタノイル]-1,2-ジアジナン-3-イル}ホルムアミド)-4-メチルペンタノイル]-1,2-ジアジナン-3-カルボン酸
  • 2-[(2S)-2-({2-[(2S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2S,3R)-2-formamido-3-methylpentanamido]butanamido]-4-methylpentanamido]-3-methylbutanoyl]-1,2-diazinan-3-yl}formamido)-4-methylpentanoyl]-1,2-diazinane-3-carboxylic acid
Other name (3)：
  • ピペラスタチンA
  • Piperastatin A
  • 2-[N-[[[2-(CHO-aIle-Thr-Leu-Val-)Hexahydropyridazin]-3-yl]carbonyl]-L-leucyl]hexahydropyridazine-3-carboxylic acid
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