Z-Ala-Ala-OH - ≥98% , CAS No.16012-70-7

CAS: 16012-70-7 Cat. No.: Z181843 Peso molecular: 294.3 PubChem CID: 7009583

GRADE & PURITY ≥98%

Synonyms

AKOS022181417 | SCHEMBL3358693 | ((Benzyloxy)carbonyl)-L-alanyl-L-alanine | L-Alanine, N-[(phenylmethoxy)carbonyl]-L-alanyl- | (S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)propanamido)propanoic acid | N-benzyloxycarbonyl-L-alanyl-L-alanine | A883239 | benzylo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS022181417 | SCHEMBL3358693 | ((Benzyloxy)carbonyl)-L-alanyl-L-alanine | L-Alanine, N-[(phenylmethoxy)carbonyl]-L-alanyl- | (S)-2-((S)-2-(((Benzyloxy)carbonyl)amino)propanamido)propanoic acid | N-benzyloxycarbonyl-L-alanyl-L-alanine | A883239 | benzylo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764498
• Sonrisas canónicas: CC(C(=O)NC(C)C(=O)O)NC(=O)OCC1=CC=CC=C1
• IUPAC Name: (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
• InChIKey: JBGCVTHXXTVYIP-UWVGGRQHSA-N
• INCHI: 1S/C14H18N2O5/c1-9(12(17)15-10(2)13(18)19)16-14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)/t9-,10-/m0/s1
• Isómeros SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)OCC1=CC=CC=C1
• PubChem CID: 7009583
• Peso molecular: 294.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Benzyloxycarbonyls Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 294.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 294.122 Da
• Monoisotopic Mass: 294.122 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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