Basic information
- Standard SMILES
CCCCOC(=O)N1CCC(NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)C1- InChIKey
NYFDRKFMIWOEEX-FKIMBDHASA-N- Molecular formula
- C35H47N7O9
- Average molar mass
- 709.8 g/mol
Names & identifiers
- Preferred name
- 3-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyrylamino]-pyrrolidine-1-carboxylic acid butyl ester
- IUPAC
- (4S)-5-[(1-butoxycarbonylpyrrolidin-3-yl)amino]-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Names & synonyms
CHEMBL2172142SCHEMBL952737NYFDRKFMIWOEEX-FKIMBDHASA-NBDBM503971723-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyrylamino]-pyrrolidine-1-carboxylic acid butyl ester
Database identifiers
- PubChem CID
- 44128982
- ChEMBL
CHEMBL2172142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
1 records
Compound notes
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