Basic information
- Standard SMILES
CO[C@@H](C(=O)N[C@H]1CN(C)c2ccccc2N(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C1CCCC1- InChIKey
LQPROXBKQLPRPH-ZDVQLZDISA-N- Molecular formula
- C24H35N3O6
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5R,6E)-7-cyclopentyl-N-[(3S)-1,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3,4,5-trihydroxy-2-methoxyhept-6-enamide
- IUPAC
- (E,2R,3R,4S,5R)-7-cyclopentyl-N-[(3S)-1,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3,4,5-trihydroxy-2-methoxyhept-6-enamide
Names & synonyms
SCHEMBL2233812LQPROXBKQLPRPH-ZDVQLZDISA-N(2R,3R,4S,5R,6E)-7-cyclopentyl-N-[(3S)-1,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-3,4,5-trihydroxy-2-methoxyhept-6-enamide
Database identifiers
- PubChem CID
- 57617735
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Related reactions
1 records
Compound notes
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