(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
959578-01-9- Standard SMILES
COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O)cc1OC- InChIKey
SSHWDGQNMYHLBV-STQMWFEESA-N- Molecular formula
- C16H23NO7
- Average molar mass
- 341.36 g/mol
- Monoisotopic mass
- 341.14745207
Names & identifiers
- Preferred name
- (2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
- IUPAC
- (2S,3S)-3-(3,4-dimethoxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- N-BOC-3-(S)-AMINO-2-(S)-HYDROXY-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID
- Molecular formula
- C16H23NO7
- Molecular weight
- 341.36
Names & synonyms
959578-01-9(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acidMFCD07363686N-Boc-(2S,3S)-3-Amino-2-hydroxy-3-(3,4-dimethoxy-phenyl)-propionic acid(2S,3S)-3-(3,4-dimethoxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidC16H23NO7(2S,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3,4-DIMETHOXYPHENYL)-2-HYDROXYPROPANOIC ACID6645ACDTXSID10376182AKOS015949922(2S,3S)-3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoicacidPS-12871
Show more names
N-BOC-3-(S)-AMINO-2-(S)-HYDROXY-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACIDN-(Tert-Butoxy)Carbonyl (2S,3S)-3-Amimo-2-hydroxy-3-(3,4-dimethoxy-phenyl)propionic acidBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3,4-dimethoxy-, (αS,βS)-N-Boc-3-N-Boc-3-(S)-amino-2-(S)-hydroxy-3-(3,4-dimethoxyphenyl)propionic acid-amino-2-(S)-hydroxy-3-(3,4-dimethoxyphenyl)propionic acid
(2S,3S)-3-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)-2-hydroxy-propanoic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…