Chem
J-GLOBAL ID：200907090276347933   Nikkaji number：J17.063A

Pepstatin A

ペプスタチン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： C34H63N5O9
Molecular formula furigana： C34-H63-N5-O9
Molecular weight： 685.904
InChI： InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
InChI key： FAXGPCHRFPCXOO-LXTPJMTPSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O
Systematic name  (5)：
  • N-イソバレリル-L-Val-L-Val-Sta-L-Ala-Sta-OH
  • (3S,4S)-4-[N-[(3S,4S)-4-[N-[N-(3-メチル-1-オキソブチル)-L-バリル]-L-バリルアミノ]-3-ヒドロキシ-6-メチルヘプタノイル]-L-アラニルアミノ]-3-ヒドロキシ-6-メチルヘプタン酸
  • N-イソバレリル-L-Val-L-Val-[(3S,4S)-3-ヒドロキシ-4-アミノ*-6-メチルヘプタノイル]-L-Ala-[(3S,4S)-3-ヒドロキシ-4-アミノ*-6-メチルヘプタノイル]-OH
  • (3S,4S)-3-ヒドロキシ-4-[(2S)-2-[(3S,4S)-3-ヒドロキシ-6-メチル-4-[(2S)-3-メチル-2-[(2S)-3-メチル-2-(3-メチルブタンアミド)ブタンアミド]ブタンアミド]ヘプタンアミド]プロパンアミド]-6-メチルヘプタン酸
  • (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid
Other name (6)：
  • ペプスタチンA
  • Pepstatin A
  • (3S,4S)-4-[N-[(3S,4S)-4-[N-[N-(3-Methyl-1-oxobutyl)-L-valyl]-L-valylamino]-3-hydroxy-6-methylheptanoyl]-L-alanylamino]-3-hydroxy-6-methylheptanoic acid
  • イソバレリルペプスタチン
  • Isovalerylpepstatin
Show all
CAS registry number： 26305-03-3
Regulation number (1)：
  • EINECS2476000
KEGG DRUG： D03818
KEGG COMPOUND： C00773
Application (1)：
proteinase inhibitor
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