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Basic information
- Standard SMILES
CCOC(=O)N1CCN(C(=O)[C@H](CCc2nn[nH]n2)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1- InChIKey
HEEIRXBNUQEWOO-AHWVRZQESA-N- Molecular formula
- C33H43N11O7
- Average molar mass
- 705.8 g/mol
- Monoisotopic mass
- 705.33469275
Names & identifiers
- Preferred name
- 4-[(S)-2-({5-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-4-(2H-tetrazol-5-yl)-butyryl]-piperazine-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-(2H-tetrazol-5-yl)butanoyl]piperazine-1-carboxylate
Names & synonyms
CHEMBL2172128SCHEMBL952201HEEIRXBNUQEWOO-AHWVRZQESA-NBDBM503971574-[(S)-2-({5-[2-((S)-2-Cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-4-(2H-tetrazol-5-yl)-butyryl]-piperazine-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 44129136
- ChEMBL
CHEMBL2172128
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
1 records
Compound notes
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