Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)[C@@H]1Cc2cc(N)c(O)cc2CN1C(=O)OC(C)(C)C- InChIKey
KBYAAYQENIGWKX-SVBPBHIXSA-N- Molecular formula
- C32H34N4O6
- Average molar mass
- 570.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-amino-3-[(S)-2-(4'-cyano-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S)-6-amino-3-[[(2S)-3-[4-(4-cyanophenyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL1151812KBYAAYQENIGWKX-SVBPBHIXSA-N(S)-6-amino-3-[(S)-2-(4'-cyano-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66922945
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
14 records
Compound notes
Loading…