Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCc1c(-c2ccc3cnccc3c2)noc1NC[C@@H](N)Cc1c[nH]c2ccccc12- InChIKey
RIJJHJZMMKWWQL-QHCPKHFHSA-N- Molecular formula
- C30H34N6O3
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-(5-((S)-2-amino-3-(1H-indol-3-yl)propylamino)-3-(isoquinolin-6-yl)isoxazol-4-yl)ethylcarbamate
- IUPAC
- tert-butyl N-[2-[5-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-3-isoquinolin-6-yl-1,2-oxazol-4-yl]ethyl]carbamate
Names & synonyms
SCHEMBL1519844RIJJHJZMMKWWQL-QHCPKHFHSA-Ntert-Butyl 2-(5-((S)-2-amino-3-(1H-indol-3-yl)propylamino)-3-(isoquinolin-6-yl)isoxazol-4-yl)ethylcarbamate
Database identifiers
- PubChem CID
- 57950676
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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