(4S)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid

HCID 6993444CAS 24277-39-2

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIKey: YMOYURYWGUWMFM-VIFPVBQESA-N
Summenformel: C14H25NO6
Durchschnittliche Molmasse: 303,35 g/mol
Monoisotopische Masse: 303,16818752

Namen und Bezeichner

Bevorzugter Name: (4S)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
IUPAC: (4S)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Namen und Synonyme

N-(tert-Butoxycarbonyl)-L-glutamic Acid 1-tert-Butyl Ester(4S)-5-(TERT-BUTOXY)-4-{[(TERT-BUTOXY)CARBONYL]AMINO}-5-OXOPENTANOIC ACID(4S)-5-(tert-butoxy)-4-(((tert-butoxy)carbonyl)amino)-5-oxopentanoic acid(4S)-5-(tert-butoxy)-4-[[(tert-butoxy)carbonyl]amino]-5-oxopentanoic acidRefChem:403443844-308-0Boc-Glu-OtBu24277-39-2Boc-L-glutamic acid 1-tert-butyl esterMFCD00038273(S)-5-(tert-butoxy)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoic acidN-BOC-glutamic acid tert-butyl ester

Weitere Namen anzeigen

N-Boc-L-glutamic acid 1-tert-butyl ester1-tert-Butyl N-Boc-L-glutamateDTXSID50426357(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acidCS-W007354HY-W007354N-Boc-L-glutamic Acid tert-Butyl EsterB4534

Datenbank-Bezeichner

CAS: 24277-39-2
PubChem CID: 6993444
DTXSID: DTXSID50426357
EC Number: 844-308-0
Nikkaji: J923.979K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 102 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 9
Schwere Atome: 21
Formalladung: 0
Komplexität: 391

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.