Basic information
- Standard SMILES
COC(=O)C(O)(O)C(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O- InChIKey
JALYLXFOYFBYLY-WOOSNZAASA-N- Molecular formula
- C20H32N4O8
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- 3-[(N-acetylprolyl)alanylprolylamino]-2,2-dihydroxybutanoic acid, methyl ester
- IUPAC
- methyl 3-[[(2S)-1-[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,2-dihydroxybutanoate
Names & synonyms
JALYLXFOYFBYLY-WOOSNZAASA-N3-[(N-acetylprolyl)alanylprolylamino]-2,2-dihydroxybutanoic acid, methyl ester3-[(N-acetylprolyl)alanylprolylamino]-2,2-dihydroxybutanoic-acid, methyl ester
Database identifiers
- PubChem CID
- 86749331
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 771
Related reactions
3 records
Compound notes
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