Benzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((7-((1a,2-dihydro-5-oxo-1H-cycloprop(c)indol-3(5H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (1aR)-
Basic information
- CAS
128049-56-9- Standard SMILES
NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5C[C@@H]6C[C@@]67C=CC(=O)C=C57)cc43)cc21- InChIKey
YOZJUPSDBZBCIY-KNTRGWTASA-N- Molecular formula
- C32H26N6O4
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.20155333
Names & identifiers
- Preferred name
- Benzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((7-((1a,2-dihydro-5-oxo-1H-cycloprop(c)indol-3(5H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (1aR)-
- IUPAC
- 2-[2-[(1aR,7aR)-5-oxo-1a,2-dihydro-1H-cyclopropa[c]indole-3-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
Names & synonyms
(-)-Ci-cdp2128049-56-9Benzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((7-((1a,2-dihydro-5-oxo-1H-cycloprop(c)indol-3(5H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (1aR)-SCHEMBL31497456DTXSID709260617-[7-(5-Oxo-1a,2-dihydro-1H-cyclopropa[c]indole-3(5H)-carbonyl)-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboximidic acid7-{7-[(1aR,7aR)-5-Oxo-1a,2-dihydro-1H-cyclopropa[c]indole-3(5H)-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
128049-56-9- PubChem CID
- 148104
- DTXSID
DTXSID70926061
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,330
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