N-Benzyloxycarbonyl-L-tryptophan

benzyloxycarbonyl-L-tryptophan

HCID 101176CAS 7432-21-5

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Grundinformationen

Standard-SMILES: O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1
InChIKey: AHYFYYVVAXRMKB-KRWDZBQOSA-N
Summenformel: C19H18N2O4
Durchschnittliche Molmasse: 338,4 g/mol
Monoisotopische Masse: 338,12665706

Überblick

receptor antagonist for peptides from gastrin family; RN given refers to (L)-isomer

Namen und Bezeichner

Bevorzugter Name: benzyloxycarbonyl-L-tryptophan
IUPAC: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
Lokaler Name: N-Benzyloxycarbonyl-L-tryptophan
Englischer Name: N-Cbz-L-Tryptophan
Summenformel: C19H18N2O4
Molmasse: 338.36

Namen und Synonyme

7432-21-5BenzyloxycarbonyltryptophanDTXSID00225332z-tryptophanRefChem:829274DTXCID00147823BENZYLOXYCARBONYL-L-TRYPTOPHAN231-074-4Z-Trp-OHN-Cbz-L-tryptophanNalpha-Cbz-L-tryptophanCbz-L-Trp-OH

Weitere Namen anzeigen

Z-TrpCbz-L-Try-OHN-CARBOBENZOXY-L-TRYPTOPHANCbz-TrpZ-L-TRP-OHNSC 521831

L-Tryptophan, N-[(phenylmethoxy)carbonyl]-Na-Cbz-L-tryptophanMFCD00065700N-CBZ-tryptophaneN-Benzyloxycarbonyl-L-tryptophan(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acidCBZ-TRP-OHNalpha-benzyloxycarbonyl-L-tryptophan

Datenbank-Bezeichner

CAS: 7432-21-5
PubChem CID: 101176
DTXSID: DTXSID00225332
ChEMBL: CHEMBL291603
EC Number: 231-074-4
Nikkaji: J81.395H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 91,4 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 25
Formalladung: 0
Komplexität: 464

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-127 °C(lit.)
Siedepunkt: 474.51 °C · 474.51°C (rough estimate)
Dichte: 1.2855 · 1.2855 (rough estimate)
Brechungsindex: 1.614 · 1.6140 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 3.98 · 3.98±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White
BRN: 96743 · 96743
CAS Datenbank: 7432 · 7432-21-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (2 of 4) 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 4 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 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-36-26

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenNα-Cbz-L-tryptophan is an N-Cbz-protected form of L-Tryptophan (T947210). L-Tryptophan is an essential amino acid that is important for cell proliferation and the biosynthesis of proteins. It is a precursor to Serotonin (HCl: S274980), a neurotransmitter that compound that aids in sleep and mental state. L-Tryptophan is also thought to cause eosinophilia-myalgia syndrome.