Ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}propanoate
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Basic information
- CAS
1396968-09-4- Standard SMILES
CCOC(=O)C(CSCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C- InChIKey
VMEQROYLWJLJHQ-UHFFFAOYSA-N- Molecular formula
- C16H29NO6S
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.17155882
Names & identifiers
- Preferred name
- Ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}propanoate
- IUPAC
- ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpropanoate
- English name
- ETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-([2-(TERT-BUTOXY)-2-OXOETHYL]SULFANYL)PROPANOATE
- Molecular formula
- C16H29NO6S
- Molecular weight
- 363.47
Names & synonyms
1396968-09-4ethyl 2-[(tert-butoxycarbonyl)amino]-3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}propanoateethyl 3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2-{[(tert-butoxy)carbonyl]amino}propanoateethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpropanoateMFCD02082030C16H29NO6SAKOS00507581810P-124ethyl 2-(tert-butoxycarbonylamino)-3-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-propanoateethyl3-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}-2-{[(tert-butoxy)carbonyl]amino}propanoateETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-([2-(TERT-BUTOXY)-2-OXOETHYL]SULFANYL)PROPANOATECysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[2-(1,1-dimethylethoxy)-2-oxoethyl]-, ethyl ester
Database identifiers
- CAS
1396968-09-4- PubChem CID
- 2765869
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 461.4 · 461.4±45.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- pka
- 10.76 · 10.76±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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