Norophthalamic acid - ≥97% , CAS No.16305-88-7

CAS: 16305-88-7 Cat. No.: N978035 Molecular Weight: 275.260

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: RPVCUZZJCXVVDW-WDSKDSINSA-N
• INCHI: 1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
• Molecular Weight: 275.260

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Alanine and derivatives L-alpha-amino acids Dicarboxylic acids and derivatives Fatty acids and conjugates N-acyl amines Secondary carboxylic acid amides Amino acids Carboxylic acids Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Fatty acid - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Primary aliphatic amine - Primary amine - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 275.260 g/mol
• XLogP3: -4.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 275.112 Da
• Monoisotopic Mass: 275.112 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 370.000
• 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