Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester

HCID 3076089

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Basic information

CAS: 129982-35-0
Standard SMILES: COC(=O)C1(C)Nc2c(O[Si](C)(C)C(C)(C)C)cc3c(c2C1OC(C)=O)C(CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
InChIKey: DERWIVTUIJCWFP-UHFFFAOYSA-N
Molecular formula: C34H44BrN3O9Si
Average molar mass: 746.7 g/mol
Monoisotopic mass: 745.20302

Names & identifiers

Preferred name: Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
IUPAC: methyl 1-acetyloxy-8-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,3,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate

Names & synonyms

129982-35-0Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 1,2,3,6,7,8-hexahydro-1-(acetyloxy)-8-(bromomethyl)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl esterRefChem:326011DTXSID30926547Methyl 1-(acetyloxy)-8-(bromomethyl)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylateMethyl 1-(acetyloxy)-8-(bromomethyl)-4-{[tert-butyldi(methyl)silyl]oxy}-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate

Database identifiers

CAS: 129982-35-0
PubChem CID: 3076089
DTXSID: DTXSID30926547

Properties

Computed structural properties

Topological polar surface area: 138 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 12
Heavy atoms: 48
Formal charge: 0
Complexity: 1,220

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