Chem
J-GLOBAL ID：200907016058433008   Nikkaji number：J1.589.727I

N-[4-(2-Amino-4-oxo-1,4-dihydropteridine-6-ylmethylamino)benzoyl]-Glu-γGlu-γGlu-OH

N-[4-(2-アミノ-4-オキソ-1,4-ジヒドロプテリジン-6-イルメチルアミノ)ベンゾイル]-Glu-γGlu-γGlu-OH
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： C29H33N9O12
Molecular formula furigana： C29-H33-N9-O12
Molecular weight： 699.634
InChI： InChI=1S/C29H33N9O12/c30-29-37-23-22(26(46)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(44)35-16(6-9-20(40)41)25(45)36-18(28(49)50)5-8-19(39)34-17(27(47)48)7-10-21(42)43/h1-4,12,16-18,31H,5-11H2,(H,34,39)(H,35,44)(H,36,45)(H,40,41)(H,42,43)(H,47,48)(H,49,50)(H3,30,32,37,38,46)/t16-,17-,18-/m0/s1
InChI key： VYFBWURANQIAQP-BZSNNMDCSA-N
SMILES： Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cnc2[nH]1
Systematic name  (3)：
  • N-[4-(2-アミノ-4-オキソ-1,4-ジヒドロプテリジン-6-イルメチルアミノ)ベンゾイル]-Glu-γGlu-γGlu-OH
  • (2S)-2-[(4S)-4-[(2S)-2-[(4-{[(2-アミノ-4-オキソ-1,4-ジヒドロプテリジン-6-イル)メチル]アミノ}フェニル)ホルムアミド]-4-カルボキシブタンアミド]-4-カルボキシブタンアミド]ペンタン二酸
  • (2S)-2-[(4S)-4-[(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
Other name (1)：
  • N-[4-(2-Amino-4-oxo-1,4-dihydropteridine-6-ylmethylamino)benzoyl]-Glu-γGlu-γGlu-OH
Thsaurus map：
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