Chem
J-GLOBAL ID：200907097096070040   Nikkaji number：J1.926.470J

3-(1,2,3,6-Tetrahydro-3-methyl-2,6-dioxopyrimidine-5-yl)-N-[2-[[[2-[di(carboxymethyl)amino]ethyl](carboxymethyl)amino]acetylamino]ethyl]propenamide

3-(1,2,3,6-テトラヒドロ-3-メチル-2,6-ジオキソピリミジン-5-イル)-N-[2-[[[2-[ジ(カルボキシメチル)アミノ]エチル](カルボキシメチル)アミノ]アセチルアミノ]エチル]プロペンアミド
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： C20H28N6O10
Molecular formula furigana： C20-H28-N6-O10
Molecular weight： 512.476
InChI： InChI=1S/C20H28N6O10/c1-24-8-13(19(35)23-20(24)36)2-3-14(27)21-4-5-22-15(28)9-25(10-16(29)30)6-7-26(11-17(31)32)12-18(33)34/h2-3,8H,4-7,9-12H2,1H3,(H,21,27)(H,22,28)(H,29,30)(H,31,32)(H,33,34)(H,23,35,36)
InChI key： VDRLWXUFAGECEM-UHFFFAOYSA-N
SMILES： Cn1cc(C=CC(=O)NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)c(=O)[nH]c1=O
Systematic name  (3)：
  • 3-(1,2,3,6-テトラヒドロ-3-メチル-2,6-ジオキソピリミジン-5-イル)-N-[2-[[[2-[ジ(カルボキシメチル)アミノ]エチル](カルボキシメチル)アミノ]アセチルアミノ]エチル]プロペンアミド
  • 2-({2-[ビス(カルボキシメチル)アミノ]エチル}[({2-[3-(1-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-5-イル)プロパ-2-エンアミド]エチル}カルバモイル)メチル]アミノ)酢酸
  • 2-({2-[bis(carboxymethyl)amino]ethyl}[({2-[3-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamido]ethyl}carbamoyl)methyl]amino)acetic acid
Other name (1)：
  • 3-(1,2,3,6-Tetrahydro-3-methyl-2,6-dioxopyrimidine-5-yl)-N-[2-[[[2-[di(carboxymethyl)amino]ethyl](carboxymethyl)amino]acetylamino]ethyl]propenamide
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