(2S)-4-(((tert-butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

HCID 2756101CAS 125238-99-5

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: LIWKOFAHRLBNMG-FQEVSTJZSA-N
Summenformel: C24H28N2O6
Durchschnittliche Molmasse: 440,5 g/mol
Monoisotopische Masse: 440,19473662

Namen und Bezeichner

Bevorzugter Name: (2S)-4-(((tert-butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Englischer Name: FMOC-DAB(BOC)-OH
Summenformel: C24H28N2O6
Molmasse: 440.49

Namen und Synonyme

(2S)-4-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid(2S)-4-(((tert-butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acidRefChem:398609834-533-2Fmoc-Dab(Boc)-OH125238-99-5(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoic acidFmoc-N4-Boc- L-2,4-diaminobutyric acidFmoc-L-dab(Boc)-OHMFCD00151941(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidButanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-

Weitere Namen anzeigen

FMOC-L-DAB(BOC)FMOC-DBU(BOC)-OHRARECHEM EM WB 0101Cefotaxiphene sodiumFmoc-Dab(Boc)-OH 98%Fmoc-Dab(Boc)-OH, 97.0%Fmoc-Dab(Boc)-OH >=97.0% (HPLC)

(2S)-4-(tert-butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acidCS-W008024SCHEMBL14039221Fmoc-Dab(Boc)Fmoc-L-2,4-Diaminobutyric acid(Boc)(S)-N2-Fmoc-N4-Boc-2,4-diaminobutanoic acidorb1987231SCHEMBL4612512

Datenbank-Bezeichner

CAS: 125238-99-5
PubChem CID: 2756101
DTXSID: DTXSID50373236
EC Number: 834-533-2
Nikkaji: J2.017.665B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 114 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 10
Schwere Atome: 32
Formalladung: 0
Komplexität: 654

Physikochemische Eigenschaften

Schmelzpunkt: 111 · 111-113℃
Siedepunkt: 670.9 · 670.9±55.0 °C(Predicted)
Dichte: 1.243 · 1.243±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.79 · 3.79±0.10(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Slightly soluble in water.
BRN: 6250328 · 6250328
Major Application: peptide synthesis
InChIKey: LIWKOFAHRLBNMG-FQEVSTJZSA-N
SMILES: C(O)(=O)[C@@H](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CCNC(OC(C)(C)C)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.