Basic information
- CAS
119907-65-2- Standard SMILES
CS(=O)(=O)OCC1CN(C(=O)c2cc3c4c(ccc3[nH]2)N(C(=O)c2cc3c5c(ccc3[nH]2)N(C(N)=O)CC5)CC4)c2cc(O)ccc21- InChIKey
BMVOZFVJZKRCAE-UHFFFAOYSA-N- Molecular formula
- C33H30N6O7S
- Average molar mass
- 654.7 g/mol
- Monoisotopic mass
- 654.18966849
Names & identifiers
- Preferred name
- (+/-)-7-((7-((2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide
- IUPAC
- [1-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-6-hydroxy-2,3-dihydroindol-3-yl]methyl methanesulfonate
Names & synonyms
119907-65-2(+/-)-7-((7-((2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamideDTXSID80923142Benzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((7-((2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (+-)-7-[7-(6-Hydroxy-3-{[(methanesulfonyl)oxy]methyl}-2,3-dihydro-1H-indole-1-carbonyl)-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboximidic acid
Database identifiers
- CAS
119907-65-2- PubChem CID
- 147474
- DTXSID
DTXSID80923142
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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