Asperlicin B
Basic information
- CAS
93413-08-2- Standard SMILES
CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1O- InChIKey
SVMKNJGSJSFLSU-IWENFQHWSA-N- Molecular formula
- C31H29N5O5
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.21686904
Overview
Asperlicin B is a pyrimidodiazepine.
Names & identifiers
- Preferred name
- Asperlicin B
- IUPAC
- (7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
- English name
- asperlicin B
- Molecular formula
- C31H29N5O5
- Molecular weight
- 551.6
Names & synonyms
Asperlicin B93413-08-2U09MKY29YG(7S)-7-[[(2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dioneQuinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione, 6,7-dihydro-7-((2,3,9,9a-tetrahydro-1,9-dihydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)-, (2S-(2alpha,9beta,9(R*),9abeta))-(7S)-7-(((2S,3aR,4S)-3,4-dihydroxy-2-(2-methylpropyl)-1-oxo-2,3a-dihydroimidazo(1,2-a)indol-4-yl)methyl)-6,7-dihydroquinazolino(3,2-a)(1,4)benzodiazepine-5,13-dioneRefChem:114957UNII-U09MKY29YGASPERLICIN B [MI]SCHEMBL29711349DTXSID80918452CHEBI:222069
Show more names
Q27290516(7S)-7-{[(2S,9S,9aR)-1,9-Dihydroxy-2-(2-methylpropyl)-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-5-hydroxyquinazolino[3,2-a][1,4]benzodiazepin-13(7H)-one7-{[1,9-Dihydroxy-2-(2-methylpropyl)-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-5-hydroxyquinazolino[3,2-a][1,4]benzodiazepin-13(7H)-oneQUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,13-DIONE, 6,7-DIHYDRO-7-(((2S,9S,9AR)-2,3,9,9A-TETRAHYDRO-1,9-DIHYDROXY-2-(2-METHYLPROPYL)-3-OXO-1H-IMIDAZO(1,2-A)INDOL-9-YL)METHYL)-, (7S)-
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- FDA UNII
- 9 MKY29YG · U09MKY29YG
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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