(4S)-5-(tert-Butoxy)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-oxopentanoic acid

HCID 7017912CAS 84793-07-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: GOPWHXPXSPIIQZ-FQEVSTJZSA-N
Summenformel: C24H27NO6
Durchschnittliche Molmasse: 425,5 g/mol
Monoisotopische Masse: 425,18383758

Namen und Bezeichner

Bevorzugter Name: (4S)-5-(tert-Butoxy)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-oxopentanoic acid
IUPAC: (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Englischer Name: Fmoc-L-Glutamic acid 1-tert-butyl ester
Summenformel: C24H27NO6
Molmasse: 425.48

Namen und Synonyme

XXH3RHN4GT(4S)-5-(tert-butoxy)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid(4S)-5-(tert-Butoxy)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-oxopentanoic acid(4S)-5-(tert-Butoxy)-4-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-5-oxopentanoic acidRefChem:1050524Fmoc-Glu-OtBu84793-07-7FMOC-L-GLUTAMIC ACID 1-TERT-BUTYL ESTERFmoc-L-Glu-OtBuMFCD00065648Fmoc-Glu-Ot-BuFmoc-Glu-O-t-Bu

Weitere Namen anzeigen

FMOC-GLU-OBUTFmoc-L-Glu-OrbFmoc-Glu-OtBu 98%FMOC-GLUTAMIC ACID-OTBUFmoc-l-glutamate-1-tert-butylFmoc glutamic acid butyl esterFMOC-L-GLUTAMIC ACID-A-T-BUTYLESTERN-Fmoc-L-glutamic acid 1-tert-butyl

(S)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acidAC-1157N-Fmoc-L-glutamic Acid 1-tert-Butyl EsterN-alpha-fmoc-l-glutamic acid-alpha-t-butyl esterN-(9-Fluorenylmethoxycarbonyl)glutamic acid alpha-tert-butyl ester(S)-4-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-tert-butoxy-5-oxopentanoic acidL-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester

Datenbank-Bezeichner

CAS: 84793-07-7
PubChem CID: 7017912
DTXSID: DTXSID80426921
UNII: XXH3RHN4GT
EC Number: 688-911-5
Nikkaji: J956.302D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 102 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 10
Schwere Atome: 31
Formalladung: 0
Komplexität: 635

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-80 °C
Siedepunkt: 638.1 · 638.1±55.0 °C(Predicted)
Dichte: 1.232 · 1.232±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 4.46 · 4.46±0.10(Predicted)
Farbe: White to off-white
Major Application: peptide synthesis
InChIKey: GOPWHXPXSPIIQZ-FQEVSTJZSA-N
SMILES: C(OC(C)(C)C)(=O)[C@H](CCC(O)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
CAS Datenbank: 84793 · 84793-07-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.