N-Benzyloxycarbonyl-L-aspartic acid 4-methyl ester
Basic information
- CAS
3160-47-2- Standard SMILES
COC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
PHMBNDDHIBIDRQ-UHFFFAOYSA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Names & identifiers
- Preferred name
- N-Benzyloxycarbonyl-L-aspartic acid 4-methyl ester
- IUPAC
- 4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
- English name
- Z-Asp(OMe)-OH
- Molecular formula
- C13H15NO6
- Molecular weight
- 281.26
Names & synonyms
N-Benzyloxycarbonyl-L-aspartic acid 4-methyl esterZ-L-Aspartic acid 4-methyl ester(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acidNSC118439SCHEMBL30124754-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acidZ-L-aspartic acid b-methyl esterAKOS015912810NSC-118439LS-142102-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoic acidN-Cbz-L-aspartic acid ß-methyl ester, Z-L-Aspartic acid 4-methyl ester
Show more names
CBZ-ASP(OME)-OH(S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acidZ-Asp(OMe)-OHZ-L-Asp(OMe)-OHZ-ASP(OME)-OH,98%Cbz-L-Asp(OMe)-OHZ-Asp(OMe)-OH, 98.0%Z-ASPARTIC ACID(OME)-OHZ-L-ASPARTIC ACID B-METHYLESTER
Database identifiers
- CAS
3160-47-2- PubChem CID
- 273302
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 503.6 · 503.6±50.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 3.63 · 3.63±0.23(Predicted)
- color
- White
- BRN
- 6279422 · 6279422
- Major Application
- peptide synthesis
- InChI
- 1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
- InChIKey
- PHMBNDDHIBIDRQ-JTQLQIEISA-N
- SMILES
- COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
- CAS DataBase Reference
- 3160 · 3160-47-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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