N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)-L-cysteine

HCID 128239CAS 103213-32-7

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Grundinformationen

Standard-SMILES: O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIKey: KLBPUVPNPAJWHZ-UMSFTDKQSA-N
Summenformel: C37H31NO4S
Durchschnittliche Molmasse: 585,7 g/mol
Monoisotopische Masse: 585,19737947

Überblick

side chain protected amino acid; structure given in first source

Namen und Bezeichner

Bevorzugter Name: N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)-L-cysteine
IUPAC: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
Englischer Name: FMOC-S-trityl-L-cysteine
Summenformel: C37H31NO4S
Molmasse: 585.71

Namen und Synonyme

103213-32-7Fmoc-L-Cys(Trt)-OHFmoc-S-trityl-cysN(alpha)-Fluorenylmethyloxycarbonyl-S-tritylcysteine7VS47T4LL8DTXSID70145699N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteineN-(alpha)-fluorenylmethyloxycarbonyl-S-tritylcysteineN-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)-L-cysteineRefChem:821415DTXCID1068190Fmoc-Cys(Trt)-OH

Weitere Namen anzeigen

FMOC-CYS(TRT)Fomc-Cys(Trt)-OHFmoc-Cyc(Trt)-OHFMOC-L-CYS(TRT)Fmoc-Cys(Trt)-0HFmoc-Cys(Trt)-OH Fmoc-Cys(Trt)-OH

FMOC-S-trityl-L-cysteineN-Fmoc-S-trityl-L-cysteineMFCD00038538(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acidCHEMBL396414L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-M03395(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(triphenylmethyl)sulfanyl]propanoic acid

Datenbank-Bezeichner

CAS: 103213-32-7
PubChem CID: 128239
DTXSID: DTXSID70145699
ChEMBL: CHEMBL396414
UNII: 7VS47T4LL8
EC Number: 600-408-4
Nikkaji: J1.565.797I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 11
Schwere Atome: 43
Formalladung: 0
Komplexität: 841

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 170 · 170-173 °C(lit.)
Siedepunkt: 763.4 · 763.4±60.0 °C(Predicted)
Dichte: 1.27 · 1.270±0.06 g/cm3(Predicted)
Brechungsindex: 18 ° · 18 ° (C=1, THF)
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 3.7 · 3.70±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White to almost white
Wasserlöslichkeit: Insoluble in water. Soluble in most organic solvents.
BRN: 4221286 · 4221286
Major Application: peptide synthesis
InChIKey: KLBPUVPNPAJWHZ-UMSFTDKQSA-N
SMILES: OC(=O)[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6ccccc46
CAS Datenbank: 103213 · 103213-32-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)

Sicherheitsdaten

F: 9-21
wgk: 3
hs_code: 29309090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesSide chain protected amino acid. [ChemIDplus]

Anwendungen

VerwendenFMOC-S-trityl-L-cysteine is potentially useful for proteomics studies, and solid phase peptide synthesis techniques. The compound could be useful as an unusual amino acid analog to aid in the deconvolution of protein structure and function.