3-(L-alaninyl)amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride

HCID 23552766

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

Related reactions

32 records

Linked notes

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