Chemical Compound

2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo[9.4.0.0,⁷]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2- methoxyphenyl)formamido]pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound I)

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2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo[9.4.0.0,⁷]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2- methoxyphenyl)formamido]pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound I) 结构式
Primary record

2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo[9.4.0.0,⁷]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2- methoxyphenyl)formamido]pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound I)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
74982890
SMILES
CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)C(/C1=C\C=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CC)(C)CCCC(=O)NCCCC[C@H](C(=O)N)NC(=O)C5=C(C=C(C=C5)NC6=NC=C7CN=C(C8=C(C7=N6)C=CC(=C8)Cl)C9=C(C=CC=C9F)OC)OC
Canonical SMILES
CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4c(n3)-c3ccc(Cl)cc3C(c3c(F)cccc3OC)=NC4)cc2OC)C(N)=O)c2cc(S(=O)(=O)O)ccc21

名称与同义词

  • BDBM109206
  • Compound I: MLN8237*-D-Lys(PromoFluor 647)-NH2
  • 2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo[9.4.0.0,⁷]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2- methoxyphenyl)formamido]pentyl]carbamoyl}propyl)-1- ethyl-3-methyl-5-sulfoindol-2-ylidene]penta-1,3- dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5- sulfonate (Compound I)