ethyl (2R)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butylamino)carbothioyl]amino}hexanoate

HCID 86584428

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

Related reactions

4 records

Linked notes

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