Basic information
- Standard SMILES
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)Nc1ccncn1- InChIKey
BYDOKTPDTMLRTJ-CABCVRRESA-N- Molecular formula
- C18H26N6O4
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- (3S)-2-((2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl)-N-4-pyrimidinyl-3-pyrazolidinecarboxamide
- IUPAC
- (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-pyrimidin-4-ylpyrazolidine-3-carboxamide
Names & synonyms
SCHEMBL12487077BYDOKTPDTMLRTJ-CABCVRRESA-N(3S)-2-((2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl)-N-4-pyrimidinyl-3-pyrazolidinecarboxamide
Database identifiers
- PubChem CID
- 66548431
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Related reactions
2 records
Compound notes
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