N-alpha-Benzyloxycarbonyl-D-valine

HCID 712434CAS 1685-33-2

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Grundinformationen

Standard-SMILES: CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: CANZBRDGRHNSGZ-LLVKDONJSA-N
Summenformel: C13H17NO4
Durchschnittliche Molmasse: 251,28 g/mol

Namen und Bezeichner

Bevorzugter Name: N-alpha-Benzyloxycarbonyl-D-valine
IUPAC: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
Englischer Name: Cbz-D-Valine
Summenformel: C13H17NO4
Molmasse: 251.28

Namen und Synonyme

1685-33-2RefChem:829005N-alpha-Benzyloxycarbonyl-D-valine861-721-1CBZ-D-VALINEZ-D-Val-OHN-Benzyloxycarbonyl-D-valineCbz-D-Val-OHN-Cbz-D-valineN-Carbobenzoxy-D-valineD-Valine, N-[(phenylmethoxy)carbonyl]-MFCD00065703

Weitere Namen anzeigen

N-Carbobenzyloxy-D-valineZ-D-ValCBZ-D-VALZ-D-VALINEZ-D-valine99%N-CBZ-D-VAL-OH

(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acidWRJ5TH8NR7((Benzyloxy)carbonyl)-D-valineN-[(benzyloxy) carbonyl]-D-valineAKOS015924216CS-W014621(2R)-2-(benzyloxycarbonylamino)-3-methyl-butanoic acid(2R)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid

Datenbank-Bezeichner

CAS: 1685-33-2
PubChem CID: 712434
UNII: WRJ5TH8NR7
EC Number: 861-721-1
Nikkaji: J232.239K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 18
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60°C
Siedepunkt: 432.6 · 432.6±38.0 °C(Predicted)
Dichte: 1.182 · 1.182±0.06 g/cm3(Predicted)
Brechungsindex: 4 ° · 4 ° (C=2, AcOH)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: powder to crystal
pka: 4 · 4.00±0.10(Predicted)
Farbe: White to Almost white
BRN: 2056616 · 2056616
InChI: InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKey: CANZBRDGRHNSGZ-LLVKDONJSA-N
SMILES: C(O)(=O)[C@@H](C(C)C)NC(OCC1=CC=CC=C1)=O
CAS Datenbank: 1685 · 1685-33-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

hs_code: 29225090
safety_code: 22-24/25

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Cbz-D-valine is the N-Cbz-protected form of D-Valine (V094200). D-Valine (an isomer of the essential amino acid L-Valine [V094205])exhibited inhibitory effects on fibroblasts that contaminated mammalian kidney cultures, allowing for selective growth epithelial cells. D-Valine is also known for its presence in the structure of Actinomycin D, an antitumour drug. D-Valine is naturally synthesized by Streptomyces antibioticus.