(2S)-3-Amino-2-(tert-butoxycarbonyl)-4-(4-tert-butylphenyl)butanoic acid
Basic information
- CAS
403661-85-8- Standard SMILES
CC(C)(C)OC(=O)[C@H](C(=O)O)C(N)Cc1ccc(C(C)(C)C)cc1- InChIKey
ZLEVNDPDSGYEFL-LOACHALJSA-N- Molecular formula
- C19H29NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.20965841
Names & identifiers
- Preferred name
- (2S)-3-Amino-2-(tert-butoxycarbonyl)-4-(4-tert-butylphenyl)butanoic acid
- IUPAC
- (2S)-3-amino-4-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
- English name
- Boc-(S)-3-amino-4-(4-tert-butyl-phenyl)-butyric acid
- Molecular formula
- C19H29NO4
- Molecular weight
- 335.44
Names & synonyms
DTXSID10721956Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(1,1-dimethylethyl)-,(bS)-(2S)-3-Amino-2-(tert-butoxycarbonyl)-4-(4-tert-butylphenyl)butanoic acidRARECHEM AK PT F136Boc-b-HoPhe(4-tBu)-OHBOC-L-Β-HOMO-4-TBU-PHEBOC-PHE(4-TBU)-(C*CH2)OHBOC-BETA-HOPHE(4-TBU)-OHBoc-(S)-3-Amino-4-(4-Tbutyl-phenyl)-butyric acidBOC-(S)-3-AMINO-4-(4-TERT-BUTYL-PHENYL)BUTANOIC ACIDBoc-(S)-3-amino-4-(4-tert-butyl-phenyl)-butyric acid(S)-3-(Boc-amino)-4-(4-tert-butylphenyl)butanoic acid
Show more names
N-β-(t-Butoxycarbonyl)-4-(t-butyl)-L-β-homophenylalanine
Database identifiers
- CAS
403661-85-8- PubChem CID
- 57349754
- DTXSID
DTXSID10721956
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 479.047 · 479.047±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.075 · 1.075
- storage temp.
- Store at room temperature
- pka
- 4.441 · 4.441±0.10(predicted)
- Appearance
- White to off-white Solid
- 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
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Related reactions
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Compound notes
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