Basic information
- Standard SMILES
O=CN(C[C@@H](CC1CCCC1)C(=O)N1C(C(=O)O)CCN1C(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
KXXDTOXXMQSBJJ-DCWQJPKNSA-N- Molecular formula
- C29H35N3O7
- Average molar mass
- 537.6 g/mol
Names & identifiers
- Preferred name
- 2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidinecarboxylic acid
- IUPAC
- 2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-1-phenylmethoxycarbonylpyrazolidine-3-carboxylic acid
Names & synonyms
SCHEMBL12487619KXXDTOXXMQSBJJ-DCWQJPKNSA-N2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidine carboxylic acid2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrazolidinecarboxylic acid
Database identifiers
- PubChem CID
- 86706341
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 822
Related reactions
3 records
Compound notes
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