Fmoc-N-methyl-L-leucine - Moligand™,≥99% , CAS No.103478-62-2

CAS: 103478-62-2 Cat. No.: F117114 Molecular Weight: 367.44 Beilstein Registry Number: 3630430 EC Number: 689-222-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

DTXSID7064150 | AKOS015837125 | (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-methylpentanoic acid | HY-W008558 | A800747 | FMOC-MeLeu-OH | Fmoc-N-Me-Leu-OH | MH-0721 | SCHEMBL451481 | SCHEMBL1486163 | EN300-1268400 | DS-0784 | Fmoc-N-methyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID7064150 | AKOS015837125 | (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-methylpentanoic acid | HY-W008558 | A800747 | FMOC-MeLeu-OH | Fmoc-N-Me-Leu-OH | MH-0721 | SCHEMBL451481 | SCHEMBL1486163 | EN300-1268400 | DS-0784 | Fmoc-N-methyl

Specifications & Purity

Moligand™, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764547
• Canonical Smiles: CC(C)CC(C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoic acid
• InChIKey: BUJQSIPFDWLNDC-FQEVSTJZSA-N
• INCHI: 1S/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Germany: 3
• Molecular Weight: 367.44
• Beilstein: 3630430
• Reaxy-Rn: 40603928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40603928&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 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Leucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Leucine and derivatives
• Alternative Parents: Fluorenes Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Leucine or derivatives - Fluorene - Benzenoid - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Specific Rotation[α]: -20° (C=1,DMF)
• Melt Point(°C): 113-116°C
• Molecular Weight: 367.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 367.178 Da
• Monoisotopic Mass: 367.178 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 512.000
• 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