Chem
J-GLOBAL ID：200907093527413115   Nikkaji number：J1.120.829K

Isooxodesmosine

イソオキソデスモシン
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： C23H37N5O7
Molecular formula furigana： C23-H37-N5-O7
Molecular weight： 495.577
InChI： InChI=1S/C23H37N5O7/c24-14-9-8-13-19(14)28(11-2-1-4-15(25)21(30)31)18(6-3-5-16(26)22(32)33)12(20(13)29)7-10-17(27)23(34)35/h14-17H,1-11,24-27H2,(H,30,31)(H,32,33)(H,34,35)
InChI key： DYRNNGQPCZUVRQ-UHFFFAOYSA-N
SMILES： NC(CCCCn1c2C(N)CCc2c(=O)c(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O
Systematic name  (3)：
  • 2-アミノ-6-[[2-(4-アミノ-4-カルボキシブチル)-3-(3-アミノ-3-カルボキシプロピル)-4-オキソ-7-アミノ-4,5,6,7-テトラヒドロ-1H-1-ピリンジン]-1-イル]ヘキサン酸
  • 2-アミノ-6-[7-アミノ-3-(3-アミノ-3-カルボキシプロピル)-2-(4-アミノ-4-カルボキシブチル)-4-オキソ-1H,4H,5H,6H,7H-シクロペンタ[b]ピリジン-1-イル]ヘキサン酸
  • 2-amino-6-[7-amino-3-(3-amino-3-carboxypropyl)-2-(4-amino-4-carboxybutyl)-4-oxo-1H,4H,5H,6H,7H-cyclopenta[b]pyridin-1-yl]hexanoic acid
Other name (3)：
  • 2-Amino-6-[[2-(4-amino-4-carboxybutyl)-3-(3-amino-3-carboxypropyl)-4-oxo-7-amino-4,5,6,7-tetrahydro-1H-1-pyrindine]-1-yl]hexanoic acid
  • イソオキソデスモシン
  • Isooxodesmosine
CAS registry number： 147044-50-6
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