Basic information
- Standard SMILES
CN1CC[C@@H](C(=O)Nc2ccncn2)N1C(=O)[C@H](CC1CCCC1)CN(C=O)OCc1ccccc1- InChIKey
APFNVAYUWGUQSQ-PKTZIBPZSA-N- Molecular formula
- C26H34N6O4
- Average molar mass
- 494.6 g/mol
Names & identifiers
- Preferred name
- (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-4-pyrimidinyl-3-pyrazolidinecarboxamide
- IUPAC
- (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-1-methyl-N-pyrimidin-4-ylpyrazolidine-3-carboxamide
Names & synonyms
SCHEMBL12487511APFNVAYUWGUQSQ-PKTZIBPZSA-N(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-4-pyrimidinyl-3-pyrazolidinecarboxamide
Database identifiers
- PubChem CID
- 86706352
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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