Chem
J-GLOBAL ID:200907017743836766   Nikkaji number:J1.832.623J

(E)-3-[1-Methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-(acetylamino)-1H-imidazole-2-yl]carbonylamino]-1H-pyrrole-2-yl]carbonylamino]-1H-pyrrole-2-yl]carbonylamino]butyrylamino]-1H-imidazole-2-yl]carbonylamino]-1H-pyrrole-2-yl]propenoic acid

(2E)-3-(4-{4-[4-({4-[4-(4-アセトアミド-1-メチル-1H-イミダゾール-2-アミド)-1-メチル-1H-ピロール-2-アミド]-1-メチル-1H-ピロール-2-イル}ホルムアミド)ブタンアミド]-1-メチル-1H-イミダゾール-2-アミド}-1-メチル-1H-ピロール-2-イル)プロパ-2-エン酸
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: C36H41N13O8
Molecular formula furigana: C36-H41-N13-O8
Molecular weight: 783.807
InChI: InChI=1S/C36H41N13O8/c1-20(50)38-27-18-48(5)31(43-27)36(57)41-23-14-26(47(4)17-23)34(55)39-22-13-25(46(3)16-22)33(54)37-11-7-8-29(51)42-28-19-49(6)32(44-28)35(56)40-21-12-24(45(2)15-21)9-10-30(52)53/h9-10,12-19H,7-8,11H2,1-6H3,(H,37,54)(H,38,50)(H,39,55)(H,40,56)(H,41,57)(H,42,51)(H,52,53)/b10-9+
InChI key: XQLAHFLFTIRKGG-MDZDMXLPSA-N
SMILES: CC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC(=O)Nc3cn(C)c(n3)C(=O)Nc3cc(/C=C/C(=O)O)n(C)c3)n(C)c2)n(C)c1
Systematic name  (3):
  • (E)-3-[1-メチル-4-[[1-メチル-4-[4-[[1-メチル-4-[[1-メチル-4-[[1-メチル-4-(アセチルアミノ)-1H-イミダゾール-2-イル]カルボニルアミノ]-1H-ピロール-2-イル]カルボニルアミノ]-1H-ピロール-2-イル]カルボニルアミノ]ブチリルアミノ]-1H-イミダゾール-2-イル]カルボニルアミノ]-1H-ピロール-2-イル]プロペン酸
  • (2E)-3-(4-{4-[4-({4-[4-(4-アセトアミド-1-メチル-1H-イミダゾール-2-アミド)-1-メチル-1H-ピロール-2-アミド]-1-メチル-1H-ピロール-2-イル}ホルムアミド)ブタンアミド]-1-メチル-1H-イミダゾール-2-アミド}-1-メチル-1H-ピロール-2-イル)プロパ-2-エン酸
  • (2E)-3-(4-{4-[4-({4-[4-(4-acetamido-1-methyl-1H-imidazole-2-amido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrol-2-yl}formamido)butanamido]-1-methyl-1H-imidazole-2-amido}-1-methyl-1H-pyrrol-2-yl)prop-2-enoic acid
Other name (1):
  • (E)-3-[1-Methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-(acetylamino)-1H-imidazole-2-yl]carbonylamino]-1H-pyrrole-2-yl]carbonylamino]-1H-pyrrole-2-yl]carbonylamino]butyrylamino]-1H-imidazole-2-yl]carbonylamino]-1H-pyrrole-2-yl]propenoic acid
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