Phytochelatin 3 , CAS No.86220-45-3

CAS: 86220-45-3 Cat. No.: P1245699 Summenformel: C₂₆H₄₁N₇O₁₄S₃ Molekulargewicht: 771.8

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)[C@@H](C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: PCOMFCPXXQONPD-QNILMXGZSA-N
• INCHI: 1S/C26H41N7O14S3/c27-11(24(42)43)1-4-17(34)30-15(9-49)22(40)32-13(26(46)47)3-6-19(36)31-16(10-50)23(41)33-12(25(44)45)2-5-18(35)29-14(8-48)21(39)28-7-20(37)38/h11-16,48-50H,1-10,27H2,(H,28,39)(H,29,35)(H,30,34)(H,31,36)(H,32,40)(H,33,41)(H,37,38)(H,42,43)(H,44,45)(H,46,47)/t11-,12-,13-,14-,15-,16-/m0/s1
• Molekulargewicht: 771.8

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: Gamma-glutamyl peptides N-acylglutathiones Glutamine and derivatives Tetracarboxylic acids and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Cysteine and derivatives L-alpha-amino acids N-acyl amines Amino acids Secondary carboxylic acid amides Alkylthiols Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Monoalkylamines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - N-acylglutathione - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - N-acyl-amine - Fatty acyl - Fatty amide - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid - Alkylthiol - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic 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: oligopeptide - phytochelatin

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: 771.800 g/mol
• XLogP3: -6.700
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 25
• Exact Mass: 771.187 Da
• Monoisotopic Mass: 771.187 Da
• Topological Polar Surface Area: 353.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86220-45-3, the molecular formula is C26H41N7O14S3, and the molecular weight is 771.8 g/mol. InChIKey PCOMFCPXXQONPD-QNILMXGZSA-N.

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