t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
Basic information
- CAS
102714-80-7- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C- InChIKey
FFMYWYKYVNEZIV-ROUUACIJSA-N- Molecular formula
- C24H37N3O6S
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.24030708
Overview
structure given in first source
Names & identifiers
- Preferred name
- t-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate
- English name
- t-butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl ester
- Molecular formula
- C24H37N3O6S
- Molecular weight
- 495.63
Names & synonyms
102714-80-7Boc-met-aib-phe-omet-Butyloxycarbonyl-methionyl-aminobutyryl-phenylalanine methyl esterRefChem:187059methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoateBoc-L-Met-Aib-L-Phe-OMemethyl (2-((S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanamido)-2-methylpropanoyl)-L-phenylalaninateDTXSID20908014(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-(1-hydroxy-1-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]imino}-2-methylpropan-2-yl)-4-(methylsulfanyl)butanimidic acid2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{1-hydroxy-1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]-2-methylpropan-2-yl}-4-(methylsulfanyl)butanimidic acidL-Phenylalanine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-methionyl]-2-methylalanyl]-, methyl ester (9CI)N-[N-[N-[(1
Show more names
Methylester (9CI)1-diMethylethoxy)carbonyl]-L-Methionyl]-2-Methylalanyl]-
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Boiling point
- 711.853 · 711.853±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.089 · 11.089±0.46(predicted)
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Compound notes
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