N-(3-Maleimidopropionyl)biocytin - ≥75% , CAS No.102849-12-7

CAS: 102849-12-7 Cat. No.: N293089 Molecular Weight: 523.6 PubChem CID: 127195

GRADE & PURITY ≥75%

Synonyms

3-(N-Maleimidopropionyl)biocytin|102849-12-7|(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid|Nalpha-(3-Maleimidylpropionyl)Biocytin|3-(N-Maleimidylprop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-(N-Maleimidopropionyl)biocytin | 102849-12-7 | (2S)-6-[5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2, 5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid | Nalpha-(3-Maleimidylpropionyl)Biocytin | 3-(N-Maleimidylprop

Specifications & Purity

≥75%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥75%

Names and Identifiers

• Canonical Smiles: C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
• IUPAC Name: (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
• InChIKey: KWNGAZCDAJSVLC-OSAWLIQMSA-N
• INCHI: 1S/C23H33N5O7S/c29-17(7-2-1-6-16-21-15(13-36-16)26-23(35)27-21)24-11-4-3-5-14(22(33)34)25-18(30)10-12-28-19(31)8-9-20(28)32/h8-9,14-16,21H,1-7,10-13H2,(H,24,29)(H,25,30)(H,33,34)(H2,26,27,35)/t14-,15-,16-,21-/m0/s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
• PubChem CID: 127195
• Molecular Weight: 523.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Biotin and derivatives N-acyl-L-alpha-amino acids Thienoimidazolidines Medium-chain fatty acids Heterocyclic fatty acids Maleimides Imidazolidinones N-acyl amines N-substituted carboxylic acid imides Pyrrolines Thiolanes Thiophenes Dicarboximides Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Hybrid peptide - Biotin_derivative - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid or derivatives - Thienoimidazolidine - Medium-chain fatty acid - Heterocyclic fatty acid - Maleimide - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Imidazolidine - Thiophene - Thiolane - Pyrroline - Carbonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Urea - Thioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through 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

• Boil Point(°C): ~962.5° C at 760 mmHg (Predicted)
• Melt Point(°C): 145-150° C (dec.)
• Molecular Weight: 523.600 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 523.21 Da
• Monoisotopic Mass: 523.21 Da
• Topological Polar Surface Area: 199.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 893.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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