Basic information
- Standard SMILES
C[C@@H](Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21)NC(=O)OC(C)(C)C- InChIKey
BJTJYEYFMPJTSA-NSHDSACASA-N- Molecular formula
- C20H25N5O3
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.19573968
Names & identifiers
- Preferred name
- tert-butyl {(1S)-2-[2-amino-3-(aminocarbonyl)-9h-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate
- IUPAC
- tert-butyl N-[(2S)-1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl]carbamate
Names & synonyms
SCHEMBL10148282BJTJYEYFMPJTSA-NSHDSACASA-Ntert-butyl {(1S)-2-[2-amino-3-(aminocarbonyl)-9h-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamatetert-butyl{(1S)-2-[2-amino-3-(aminocarbonyl)-9h-pyrido[2,3-b]indol-9-yl]-1-methylethyl}carbamate
Database identifiers
- PubChem CID
- 59513639
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
4 records
Compound notes
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