Chem
J-GLOBAL ID：200907094009102188   Nikkaji number：J481.628E

Pentosidine

ペントシジン
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： C17H26N6O4
Molecular formula furigana： C17-H26-N6-O4
Molecular weight： 378.433
InChI： InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChI key： AYEKKSTZQYEZPU-RYUDHWBXSA-N
SMILES： N[C@@H](CCCCn1cccc2nc(NCCC[C@H](N)C(=O)O)nc12)C(=O)O
Systematic name  (3)：
  • (αS)-α-アミノ-2-[[(S)-4-アミノ-4-カルボキシブチル]アミノ]-4H-イミダゾ[4,5-b]ピリジン-4-ヘキサン酸
  • (2S)-2-アミノ-6-(2-{[(4S)-4-アミノ-4-カルボキシブチル]アミノ}-4H-イミダゾ[4,5-b]ピリジン-4-イル)ヘキサン酸
  • (2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
Other name (3)：
  • ペントシジン
  • Pentosidine
  • (αS)-α-Amino-2-[[(S)-4-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid
CAS registry number： 124505-87-9
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