Basic information
- Standard SMILES
CC(C)CN1C(=O)C(N)(C(=O)[C@H](C)NC(=O)CC2CC2)C(=O)N(CC(C)C)c2ccccc21- InChIKey
LZGZLSXIFIHJTB-KRWDZBQOSA-N- Molecular formula
- C25H36N4O4
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- N-[(2S)-1-[3-amino-1,5-bis(2-methylpropyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-1-oxopropan-2-yl]-2-cyclopropylacetamide
Names & synonyms
LZGZLSXIFIHJTB-KRWDZBQOSA-N3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4-dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4-dioxo-1,5bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4dioxo- 1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(Cyclopropylacetyl)-L-alaninyl]-amino-2,4dioxo-1,5-bis-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 86584977
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 738
Related reactions
11 records
Linked notes
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