Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)OCC(Cl)(Cl)Cl)N1- InChIKey
ZKGVSKBBLSLZCZ-HOTGVXAUSA-N- Molecular formula
- C21H28Cl3N3O5
- Average molar mass
- 508.8 g/mol
- Monoisotopic mass
- 507.109454
Names & identifiers
- Preferred name
- (S)-1-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl (3S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]diazinane-3-carboxylate
Names & synonyms
SCHEMBL15443170ZKGVSKBBLSLZCZ-HOTGVXAUSA-N(S)-1-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 89945278
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 660
Related reactions
2 records
Compound notes
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