N-Fmoc-L-prolyl-L-proline - ≥95% , CAS No.129223-22-9

CAS: 129223-22-9 Cat. No.: F181042 Molecular Weight: 434.5 EC Number: 846-642-2

GRADE & PURITY ≥95%

Synonyms

C25H26N2O5 | MFCD00237673 | Fmoc-Pro-Pro-OH | (2S)-1-[(2S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline | (S)-1-((S)-1-(((9H-Fluoren-9-yl)methoxy)c

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

C25H26N2O5 | MFCD00237673 | Fmoc-Pro-Pro-OH | (2S)-1-[(2S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid | N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline | (S)-1-((S)-1-(((9H-Fluoren-9-yl)methoxy)c

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766055
• Canonical Smiles: C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
• IUPAC Name: (2S)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
• InChIKey: VRAQFWSWKRNOGU-VXKWHMMOSA-N
• INCHI: 1S/C25H26N2O5/c28-23(26-13-6-12-22(26)24(29)30)21-11-5-14-27(21)25(31)32-15-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22H,5-6,11-15H2,(H,29,30)/t21-,22-/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
• Molecular Weight: 434.5
• Reaxy-Rn: 15788583
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15788583&ln=

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: Fluorenes N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidine carboxylic acids Pyrrolidinecarboxamides Carbamate esters Tertiary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Fluorene - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Benzenoid - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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: 434.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 434.184 Da
• Monoisotopic Mass: 434.184 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 720.000
• 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