Basic information
- Standard SMILES
Cl.N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](Nc2nc3ccccc3o2)CN1- InChIKey
SHHAYNRGIYTIBS-RGESYUBESA-N- Molecular formula
- C17H20ClN5O2
- Average molar mass
- 361.8 g/mol
Names & identifiers
- Preferred name
- (S)-1-[(2S,4S)-4-(2-benzoxazolyl)amino-2-pyrrolidinylcarbonyl]-2-cyanopyrrolidine hydrochloride
- IUPAC
- (2S)-1-[(2S,4S)-4-(1,3-benzoxazol-2-ylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile;hydrochloride
Names & synonyms
SCHEMBL2708441SHHAYNRGIYTIBS-RGESYUBESA-N(S)-1-[(2S,4S)-4-(2-benzoxazolyl)amino-2-pyrrolidinylcarbonyl]-2-cyanopyrrolidine hydrochloride
Database identifiers
- PubChem CID
- 67506491
Properties
Computed structural properties
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
2 records
Compound notes
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