Basic information
- Standard SMILES
CC(C)CN1C(=O)C(NC(=O)[C@H](C)N)C(=O)N(CC(C)C)c2ccccc21.Cl- InChIKey
PLPDJYJWQPITNL-UQKRIMTDSA-N- Molecular formula
- C20H31ClN4O3
- Average molar mass
- 410.9 g/mol
Names & identifiers
- Preferred name
- 3-(L-alaninyl)amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride
- IUPAC
- (2S)-2-amino-N-[1,5-bis(2-methylpropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]propanamide;hydrochloride
Names & synonyms
SCHEMBL4414990PLPDJYJWQPITNL-UQKRIMTDSA-N3-(L-alaninyl)amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride
Database identifiers
- PubChem CID
- 23552766
Properties
Computed structural properties
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 525
Related reactions
32 records
Linked notes
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