Chem
J-GLOBAL ID：201407088736301193   Nikkaji number：J3.299.557H

N-[4-[[[(6S)-5-Methyl-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-yl]methyl]amino]benzoyl]-L-glutamic acid calcium salt

N-[4-[[[(6S)-5-メチル-2-アミノ-4-オキソ-3,4,5,6,7,8-ヘキサヒドロプテリジン-6-イル]メチル]アミノ]ベンゾイル]-L-グルタミン酸カルシウム
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： C20H23CaN7O6
Molecular formula furigana： C20-H23-CA-N7-O6
Molecular weight： 497.525
InChI： InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12-,13-;/m0./s1
InChI key： VWBBRFHSPXRJQD-QNTKWALQSA-L
SMILES： CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@H]2CCC(=O)O[Ca]OC2=O)CNc2nc(N)[nH]c(=O)c12
Systematic name  (3)：
  • N-[4-[[[(6S)-5-メチル-2-アミノ-4-オキソ-3,4,5,6,7,8-ヘキサヒドロプテリジン-6-イル]メチル]アミノ]ベンゾイル]-L-グルタミン酸カルシウム
  • 4-({[(6S)-2-アミノ-5-メチル-4-オキソ-3,4,5,6,7,8-ヘキサヒドロプテリジン-6-イル]メチル}アミノ)-N-[(5S)-4,8-ジオキソ-1,3-ジオキサ-2-カルカシクロオクタン-5-イル]ベンズアミド
  • 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)-N-[(5S)-4,8-dioxo-1,3-dioxa-2-calcacyclooctan-5-yl]benzamide
Other name (1)：
  • N-[4-[[[(6S)-5-Methyl-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-yl]methyl]amino]benzoyl]-L-glutamic acid calcium salt
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM