N2-Tryptophyllysine - ≥97% , CAS No.51790-14-8

CAS: 51790-14-8 Cat. No.: N1329188 Formula: C₁₇H₂₄N₄O₃ Peso molecolare: 332.4 PubChem CID: 6452501

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)N
• IUPAC Name: (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
• InChIKey: DZHDVYLBNKMLMB-ZFWWWQNUSA-N
• INCHI: 1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1
• Isomeri SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
• CAS alternativo: 51790-14-8
• PubChem CID: 6452501
• Termini MeSH: adenosine triphosphate-accelerating peptide;ATPase-accelerating peptide;Lys-Trp;N(2)-L-tryptophyl-L-lysine;N2-Trp-Lys;N2-tryptophyllysine;N2-tryptophyllysine, (D-tryptophyl-cpd)-isomer
• Peso molecolare: 332.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Medium-chain fatty acids Amino fatty acids Aralkylamines Heterocyclic fatty acids Fatty amides Benzenoids Substituted pyrroles Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Aralkylamine - Fatty amide - Substituted pyrrole - Fatty acyl - Fatty acid - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Primary amine - Amine - Aromatic heteropolycyclic compound
• Descrizione: 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: dipeptide

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

Proprietà chimiche e fisiche

• Peso molecolare: 332.400 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 332.185 Da
• Monoisotopic Mass: 332.185 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 432.000
• 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