P-Hydroxyhippuryl-his-leu-OH - ≥95% , CAS No.77697-23-5

CAS: 77697-23-5 Cat. No.: P1306779 EG-Nummer: 616-486-8 PubChem CID: 132465

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=C(C=C2)O
• IUPAC Name: (2S)-2-[[(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
• InChIKey: IHVRJTCVMKJNRP-IRXDYDNUSA-N
• INCHI: 1S/C21H27N5O6/c1-12(2)7-17(21(31)32)26-20(30)16(8-14-9-22-11-24-14)25-18(28)10-23-19(29)13-3-5-15(27)6-4-13/h3-6,9,11-12,16-17,27H,7-8,10H2,1-2H3,(H,22,24)(H,23,29)(H,25,28)(H,26,30)(H,31,32)/t16-,17-/m0/s1
• Isomere SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=C(C=C2)O
• Alternative CAS-Nummer: 77697-23-5
• PubChem CID: 132465
• MeSH-Eintrag: 4-hydroxyhippuryl-histidyl-leucine;OHip-His-Leu

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Histidine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Hippuric acids and derivatives Alpha amino acid amides Imidazolyl carboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Histidine or derivatives - Leucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoic acid or derivatives - Benzamide - Imidazolyl carboxylic acid derivative - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 445.500 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 445.196 Da
• Monoisotopic Mass: 445.196 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 665.000
• 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

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