Chem
J-GLOBAL ID:201007091926809268   Nikkaji number:J2.853.442F

N-[1-Carboxy-2-[2-[[2-carboxy-2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-hydroxy-3-oxopropyl]sulfinyl]-1H-imidazole-5-yl]ethyl]trimethylaminium

(2-{2-[2-(4-アミノ-4-カルボキシブタンアミド)-2,2-ジカルボキシエタンスルフィニル]-1H-イミダゾール-5-イル}-1-カルボキシエチル)トリメチルアザニウム
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: C18H28N4[N+]O10S
Molecular formula furigana: C18-H28-N5-O10-S
Molecular weight: 506.510
InChI: InChI=1S/C18H27N5O10S/c1-23(2,3)11(14(27)28)6-9-7-20-17(21-9)34(33)8-18(15(29)30,16(31)32)22-12(24)5-4-10(19)13(25)26/h7,10-11H,4-6,8,19H2,1-3H3,(H5-,20,21,22,24,25,26,27,28,29,30,31,32)/p+1
InChI key: DWECMJINCAUMSZ-UHFFFAOYSA-O
SMILES: C[N+](C)(C)C(Cc1cnc([nH]1)S(=O)CC(NC(=O)CCC(N)C(=O)O)(C(=O)O)C(=O)O)C(=O)O
Systematic name  (3):
  • N-[1-カルボキシ-2-[2-[[2-カルボキシ-2-[(4-アミノ-5-ヒドロキシ-1,5-ジオキソペンチル)アミノ]-3-ヒドロキシ-3-オキソプロピル]スルフィニル]-1H-イミダゾール-5-イル]エチル]トリメチルアミニウム
  • (2-{2-[2-(4-アミノ-4-カルボキシブタンアミド)-2,2-ジカルボキシエタンスルフィニル]-1H-イミダゾール-5-イル}-1-カルボキシエチル)トリメチルアザニウム
  • (2-{2-[2-(4-amino-4-carboxybutanamido)-2,2-dicarboxyethanesulfinyl]-1H-imidazol-5-yl}-1-carboxyethyl)trimethylazanium
Other name (1):
  • N-[1-Carboxy-2-[2-[[2-carboxy-2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-hydroxy-3-oxopropyl]sulfinyl]-1H-imidazole-5-yl]ethyl]trimethylaminium
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