Basic information
- Standard SMILES
Cc1nc2cc3nn2c(c1[C@H](OC(C)(C)C)C(=O)O)N1CCC(C)(CC1)OCC=CC[C@H](C)Oc1cc(Cl)ccc1COC3- InChIKey
UOSJFYXKYJBUSX-LGGPFLRQSA-N- Molecular formula
- C33H43ClN4O6
- Average molar mass
- 627.2 g/mol
Names & identifiers
- Preferred name
- (2S)-2-(tert-butoxy)-2-[(20S)-16-chloro-4,20,26-trimethyl-11,19,25-trioxa-1,5,7,8-tetraazapentacyclo[24.2.2.16,9.02,7.013,18]hentriaconta-2,4,6(31),8,13,15,17,22-octaen-3-yl]acetic acid
- IUPAC
- (2S)-2-[(20S)-16-chloro-4,20,26-trimethyl-11,19,25-trioxa-1,5,7,8-tetrazapentacyclo[24.2.2.16,9.02,7.013,18]hentriaconta-2,4,6(31),8,13(18),14,16,22-octaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Names & synonyms
SCHEMBL17019308UOSJFYXKYJBUSX-LGGPFLRQSA-N(2S)-2-(tert-butoxy)-2-[(20S)-16-chloro-4,20,26-trimethyl-11,19,25-trioxa-1,5,7,8-tetraazapentacyclo[24.2.2.16,9.02,7.013,18]hentriaconta-2,4,6(31),8,13,15,17,22-octaen-3-yl]acetic acid
Database identifiers
- PubChem CID
- 123765054
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
Loading…