Basic information
- Standard SMILES
COc1ccccc1-c1nc(N[C@H]2C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c2ccccc2n1- InChIKey
PHDOBHDXHULCIN-HNAYVOBHSA-N- Molecular formula
- C25H28N4O5
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-1-(tert-Butoxycarbonyl)-4-(2-(2-methoxyphenyl)quinazolin-4-ylamino)pyrrolidine-2-carboxylic acid
- IUPAC
- (2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL2331662PHDOBHDXHULCIN-HNAYVOBHSA-N(2R,4S)-1-(tert-Butoxycarbonyl)-4-(2-(2-methoxyphenyl)quinazolin-4-ylamino)pyrrolidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 67366705
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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