(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
Grundinformationen
- CAS
53363-89-6- Standard-SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C- InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-N- Summenformel
- C12H23NO4
- Durchschnittliche Molmasse
- 245,32 g/mol
- Monoisotopische Masse
- 245,16270821
Namen und Bezeichner
- Bevorzugter Name
- (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
- IUPAC
- (2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
- Englischer Name
- Boc-N-methyl-L-leucine
- Summenformel
- C12H23NO4
- Molmasse
- 245.32
Namen und Synonyme
(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)-4-methylpentanoic acidRefChem:397955834-864-2Boc-N-Me-Leu-OH53363-89-6Boc-N-methyl-L-leucineBoc-MeLeu-OHL-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-MFCD00038522N-(tert-butoxycarbonyl)-N-methyl-L-leucineN-boc-N-methyl-d-leucine
Weitere Namen anzeigen
Tyr(Me)BOC-LEU(ME)-OHBOC-L-MELEU-OHBOC-ALA(TBU)-OHBoc-N-Me-Leu-0HBOC-N-ME-LEUCINE
(2S)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoic acidBoc-Nalpha-methyl-L-leucineBoc-N-Me-L-Leu-OHBocMeLeuOH(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidN-Boc-N-methylleucineBoc-(Neopentyl)gly-OHN-Methyl-N-Boc-L-Leucine
Datenbank-Bezeichner
- CAS
53363-89-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 281
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-60 °C
- Siedepunkt
- 338.2 · 338.2±21.0 °C(Predicted)
- Dichte
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 4.04 · 4.04±0.21(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- BRN
- 2373250 · 2373250
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
- InChIKey
- YXJFAOXATCRIKU-VIFPVBQESA-N
- SMILES
- C(O)(=O)[C@H](CC(C)C)N(C(OC(C)(C)C)=O)C
- CAS Datenbank
- 53363 · 53363-89-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2924 19 00
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungBoc-N-methyl-L-leucine is the BOC (tert-butyloxycarbonyl) protected N-methylated leucine. The N-methylated amino acid is quite useful in the peptide synthesis, giving a lot of improved properties to peptide. Studies have shown that peptide containing N-methylated amino acids obtain increased proteolytic stability, increased membrane permeability, and altered conformation. The effects of N-methylated amino acids are quite important in the development of therapeutic peptide compound as well as in the assay of biological activity of some modified peptides. BOC group can be easily removed by treatment with strong acids such as trifluoroacetic acid.
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