HMB-Val-Ser-Leu-VE , CAS No.862891-04-1

CAS: 862891-04-1 Cat. No.: H1266303 PubChem CID: 11752486

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C=CC(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C1=C(C(=CC=C1)O)C
• IUPAC Name: ethyl (E,4S)-4-[[(2S)-3-hydroxy-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-6-methylhept-2-enoate
• InChIKey: YQKMRGLFGXKLJC-VOSPOJDESA-N
• INCHI: 1S/C26H39N3O7/c1-7-36-22(32)12-11-18(13-15(2)3)27-25(34)20(14-30)28-26(35)23(16(4)5)29-24(33)19-9-8-10-21(31)17(19)6/h8-12,15-16,18,20,23,30-31H,7,13-14H2,1-6H3,(H,27,34)(H,28,35)(H,29,33)/b12-11+/t18-,20+,23+/m1/s1
• Isómeros SMILES: CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)C1=C(C(=CC=C1)O)C
• PubChem CID: 11752486

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: Valine and derivatives N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Serine and derivatives Alpha amino acid amides o-Toluamides Ortho cresols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters N-acyl amines Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Hippuric acid or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - O-toluamide - Toluamide - Benzoyl - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxide - Carbonyl group - Alcohol - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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

Propiedades químicas y físicas

• Peso molecular: 505.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 505.279 Da
• Monoisotopic Mass: 505.279 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 769.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1