(2S,3S)-2,3-bis(benzoyloxy)-3-[(propan-2-yl)carbamoyl]propanoic acid - ≥97% , CAS No.2227199-14-4

CAS: 2227199-14-4 Cat. No.: B637961 Peso molecular: 399.4 PubChem CID: 1572628

GRADE & PURITY ≥97%

Synonyms

2227199-14-4 | (2S,3S)-2,3-BIS(BENZOYLOXY)-3-[(PROPAN-2-YL)CARBAMOYL]PROPANOIC ACID | SCHEMBL21843284 | (2S,3S)-2,3-dibenzoyloxy-4-oxo-4-(propan-2-ylamino)butanoic acid | MFCD31705053 | AS-75711 | P18008 | (2S,3S)-2,3-BIS(BENZOYLOXY)-3-[(PROPAN-2-YL)CARBA

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2227199-14-4 | (2S, 3S)-2, 3-BIS(BENZOYLOXY)-3-[(PROPAN-2-YL)CARBAMOYL]PROPANOIC ACID | SCHEMBL21843284 | (2S, 3S)-2, 3-dibenzoyloxy-4-oxo-4-(propan-2-ylamino)butanoic acid | MFCD31705053 | AS-75711 | P18008 | (2S, 3S)-2, 3-BIS(BENZOYLOXY)-3-[(PROPAN-2-YL)CARBA

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)NC(=O)C(C(C(=O)O)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
• IUPAC Name: (2S,3S)-2,3-dibenzoyloxy-4-oxo-4-(propan-2-ylamino)butanoic acid
• InChIKey: YUZORMGPDNJKHY-IRXDYDNUSA-N
• INCHI: 1S/C21H21NO7/c1-13(2)22-18(23)16(28-20(26)14-9-5-3-6-10-14)17(19(24)25)29-21(27)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,22,23)(H,24,25)/t16-,17-/m0/s1
• Isómeros SMILES: CC(C)NC(=O)[C@H]([C@@H](C(=O)O)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
• PubChem CID: 1572628
• Peso molecular: 399.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Tricarboxylic acids and derivatives Benzoyl derivatives N-acyl amines Monosaccharides Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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