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Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(Nc2nc3ccncc3cc2C#N)cc1)NC(=O)OC(C)(C)C- InChIKey
MRKKPZCRAKWUKV-FQEVSTJZSA-N- Molecular formula
- C24H25N5O4
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-tert-Butoxycarbonylamino-3-[4-(3-cyano[1,6]naphthyridin-2-ylamino)phenyl]propionic acid methyl ester
- IUPAC
- methyl (2S)-3-[4-[(3-cyano-1,6-naphthyridin-2-yl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
SCHEMBL5259836MRKKPZCRAKWUKV-FQEVSTJZSA-N(S)-2-tert-Butoxycarbonylamino-3-[4-(3-cyano[1,6]naphthyridin-2-ylamino)phenyl]propionic acid methyl ester
Database identifiers
- PubChem CID
- 69375554
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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