Boc-3-(2-naphthyl)-L-alanine
Grundinformationen
- CAS
58438-04-3- Standard-SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O- InChIKey
URKWHOVNPHQQTM-HNNXBMFYSA-N- Summenformel
- C18H21NO4
- Durchschnittliche Molmasse
- 315,4 g/mol
- Monoisotopische Masse
- 315,14705815
Namen und Bezeichner
- Bevorzugter Name
- Boc-3-(2-naphthyl)-L-alanine
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
- Englischer Name
- Boc-3-(2-Naphthyl)-L-alanine
- Summenformel
- C18H21NO4
- Molmasse
- 315.36
Namen und Synonyme
Boc-3-(2-naphthyl)-L-alanineDTXSID50427309RefChem:1080059DTXCID3037814358438-04-3Boc-2-Nal-OHBoc-3-(2 naphthyl)-L-alanineBoc-L-3-(2-Naphthyl)-alanineMFCD00079671(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acidBoc-L-2-Naphthylalanine(2S)-2-ammonio-3-(2-naphthalenyl)propanoate
Weitere Namen anzeigen
BOC-NAL(2)-OHBOC-L-2-NAL-OHBOC-D-BETA-NAL-OHBOC-ALA(2-NAPH)-OHRARECHEM BK PT 0098BOC-ALA(2-NAPHTHYL)-OHBOC-2-L-NAPHTHYLALANINEBOC-(2-naphthyl)alanine
(2S)-2-(tert-butoxycarbonylamino)-3-(2-naphthyl)propanoic acidN-Boc-3-(2-naphthyl)-L-alanine(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid(S)-2-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acidM03160N-(tert-Butoxycarbonyl)-3-(2-naphthyl)-L-alanine(2S)-2-[(tert-butoxy)carbonylamino]-3-(2-naphthyl)propanoic acidBOC-3-(2-NAPHTHYL)-ALANINE
Datenbank-Bezeichner
- CAS
58438-04-3- PubChem CID
- 7020908
- DTXSID
DTXSID50427309- EC Number
- 815-227-8
- Nikkaji
- J499.107I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 429
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-95 °C(lit.)
- Siedepunkt
- 454.92 °C · 454.92°C (rough estimate)
- Dichte
- 1.2164 · 1.2164 (rough estimate)
- Brechungsindex
- 1.574 · 1.5740 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Ethanol
- Aggregatzustand
- Solid
- pka
- 3.88 · 3.88±0.30(Predicted)
- Farbe
- Off-white
- BRN
- 4326467 · 4326467
- Major Application
- peptide synthesis
- InChI
- 1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m0/s1
- InChIKey
- URKWHOVNPHQQTM-HNNXBMFYSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
- CAS Datenbank
- 58438 · 58438-04-3(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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29225090
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenN-Boc-3-(2-naphthyl)-L-alanine Functions as a reagent for the synthesis of dipeptidyl nitriles as potent and reversible inhibitors of Cathepsin C
Vor- und nachgelagerte Produkte
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