Boc-HoTyr-OH - ≥97% , CAS No.198473-94-8

CAS: 198473-94-8 Cat. No.: B731855 Formule: C₁₅H₂₁NO₅ Poids moléculaire: 295.34 PubChem CID: 40428323

GRADE & PURITY ≥97%

Synonyms

(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-hydroxyphenyl)butanoicacid | BOC-HOMO-TYROSINE | BOC-HOMO-L-TYROSINE | (S)-2-TERT-BUTOXYCARBONYLAMINO-4-(4-HYDROXY-PHENYL)-BUTYRICACID | Boc-Homotyr-OH | Boc-L-HomoTyrosine | Boc-L-HomoTyrosine[(S)-2-tert-Butoxyc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(4-hydroxyphenyl)butanoicacid | BOC-HOMO-TYROSINE | BOC-HOMO-L-TYROSINE | (S)-2-TERT-BUTOXYCARBONYLAMINO-4-(4-HYDROXY-PHENYL)-BUTYRICACID | Boc-Homotyr-OH | Boc-L-HomoTyrosine | Boc-L-HomoTyrosine[(S)-2-tert-Butoxyc

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CC(C)(C)OC(=O)NC(CCC1=CC=C(C=C1)O)C(=O)O

IUPAC Name

(2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

InChIKey

CDPGKTTZDRPESV-LBPRGKRZSA-N

INCHI

1S/C15H21NO5/c1-15(2,3)21-14(20)16-12(13(18)19)9-6-10-4-7-11(17)8-5-10/h4-5,7-8,12,17H,6,9H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1

Isomères SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O

PubChem CID

40428323

Poids moléculaire

295.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 295.330 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 295.142 Da
• Monoisotopic Mass: 295.142 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1