Fmoc-Cys(tBu)-OH - ≥98%, mixture of enantiomers , CAS No.67436-13-9

CAS: 67436-13-9 Cat. No.: F141453 Molecular Weight: 399.5 Beilstein Registry Number: 4577030 EC Number: 164-208-4 PubChem CID: 7009544

GRADE & PURITY ≥98%, mixture of enantiomers

Synonyms

Fmoc-S-tert-butyl-L-cysteine Nα-Fmoc-S-tert-butyl-L-cysteine N-(9-Fluorenylmethyloxycarbonyl)-S-tert-butyl-L-cysteine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-S-tert-butyl-L-cysteine Nα-Fmoc-S-tert-butyl-L-cysteine N-(9-Fluorenylmethyloxycarbonyl)-S-tert-butyl-L-cysteine

Specifications & Purity

≥98%, mixture of enantiomers

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

≥98%

Names and Identifiers

• Pubchem Sid: 504764494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764494
• Canonical Smiles: CC(C)(C)SCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2R)-3-tert-butylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: IXAYZHCPEYTWHW-IBGZPJMESA-N
• INCHI: 1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
• Isomeric SMILES: CC(C)(C)SC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Germany: 3
• PubChem CID: 7009544
• Molecular Weight: 399.5
• Beilstein: 4577030
• Reaxy-Rn: 4577031

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Cysteine and derivatives Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Cysteine or derivatives - Alpha-amino acid or derivatives - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -25° (C=1,DMF)
• Melt Point(°C): 136-140°C
• Molecular Weight: 399.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 399.15 Da
• Monoisotopic Mass: 399.15 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 539.000
• 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