Basic information
- Standard SMILES
CCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=S)NC(C)(C)C- InChIKey
KKBHCDZNQLHOOO-QGZVFWFLSA-N- Molecular formula
- C21H33N3O4S
- Average molar mass
- 423.6 g/mol
- Monoisotopic mass
- 423.21917772
Names & identifiers
- Preferred name
- ethyl (2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]amino}hexanoate
- IUPAC
- ethyl (2R)-2-(tert-butylcarbamothioylamino)-6-(phenylmethoxycarbonylamino)hexanoate
Names & synonyms
KKBHCDZNQLHOOO-QGZVFWFLSA-Nethyl (2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]amino}hexanoateethyl (2R)-6-{[(benzyloxy)-carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]-amino}hexanoate
Database identifiers
- PubChem CID
- 86584428
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
Related reactions
4 records
Linked notes
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