Basic information
- CAS
106503-37-1- Standard SMILES
COC(=O)C(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(C)C- InChIKey
QCZQCQCZWMZCBE-UHFFFAOYSA-N- Molecular formula
- C28H37N3O7
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.26315053
Names & identifiers
- Preferred name
- N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester
- IUPAC
- methyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoate
- English name
- N,N'-Bis(carbobenzyloxy)lysylvaline methyl ester
- Molecular formula
- C28H37N3O7
- Molecular weight
- 527.61
Names & synonyms
N,N'-BIS(CARBOBENZYLOXY)LYSYLVALINE METHYL ESTER106503-37-1RefChem:821823668-986-0Valine, N-(N2,N6-dicarboxy-L-lysyl)-, N2,N6-dibenzyl methyl ester, L- (7CI)
Database identifiers
- CAS
106503-37-1- PubChem CID
- 3608861
- EC Number
- 668-986-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- Boiling point
- 729.3 · 729.3±60.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.46(Predicted)
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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