Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)OCC(Cl)(Cl)Cl)N1- InChIKey
GPCXYEHXDUPMKS-UFYCRDLUSA-N- Molecular formula
- C26H37Cl3N4O6
- Average molar mass
- 607.9 g/mol
Names & identifiers
- Preferred name
- (S)-1-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionyl]-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]diazinane-3-carboxylate
Names & synonyms
SCHEMBL15442670GPCXYEHXDUPMKS-UFYCRDLUSA-N(S)-1-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionyl]-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 89944910
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 856
Related reactions
1 records
Compound notes
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