H-Gly-Arg-pNA - ≥95% , CAS No.103192-40-1

CAS: 103192-40-1 Cat. No.: H1288490 PubChem CID: 22873304

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)NC(=O)CN)[N+](=O)[O-]
• IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
• InChIKey: AZZRYXNWFZSSTO-NSHDSACASA-N
• INCHI: 1S/C14H21N7O4/c15-8-12(22)20-11(2-1-7-18-14(16)17)13(23)19-9-3-5-10(6-4-9)21(24)25/h3-6,11H,1-2,7-8,15H2,(H,19,23)(H,20,22)(H4,16,17,18)/t11-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)[N+](=O)[O-]
• PubChem CID: 22873304

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Guanidines Secondary carboxylic acid amides Organic oxoazanium compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Benzenoid - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Guanidine - Secondary carboxylic acid amide - Carboxamide group - Organic oxoazanium - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 351.360 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 351.166 Da
• Monoisotopic Mass: 351.166 Da
• Topological Polar Surface Area: 194.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 494.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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