Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(N)cc3c1N2CCOC3- InChIKey
JKVKBARQJHOZLZ-HOTGVXAUSA-N- Molecular formula
- C19H27N3O3
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (7br,11as)-6-amino-1,2,7b,10,11,11a-hexahydro-4h-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8h)carboxylate
- IUPAC
- tert-butyl (11S,16R)-3-amino-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene-14-carboxylate
Names & synonyms
JKVKBARQJHOZLZ-HOTGVXAUSA-Ntert-butyl (7br,11as)-6-amino-1,2,7b,10,11,11a-hexahydro-4h-[1,4] oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8h)carboxylatetert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8H) carboxylatetert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8H)-carboxylatetert-butyl (7br,11as)-6-amino-1,2,7b,10,11,11a-hexahydro-4h-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8h)carboxylatetert-butyl (7bR,11aS)6-amino-1,2,7b,10,11,11a-hexahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8H)-carboxylate
Database identifiers
- PubChem CID
- 86586438
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
32 records
Linked notes
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