Basic information
- Standard SMILES
CC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N1CCCC1C(=O)OC(C)(C)C- InChIKey
AYZVZXNKWFDKKI-UHFFFAOYSA-N- Molecular formula
- C19H25Cl2N3O4
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 429.1222117
Names & identifiers
- Preferred name
- 1-[2-(4-Amino-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-[2-[(4-amino-3,5-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL4195456AYZVZXNKWFDKKI-UHFFFAOYSA-N1-[2-(4-amino-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68950984
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 598
Related reactions
4 records
Compound notes
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