N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(tert-butylthio)-L-cysteine - ≥98% , CAS No.73724-43-3

CAS: 73724-43-3 Cat. No.: N304522 Molecular Weight: 431.57 EC Number: 277-574-6

GRADE & PURITY ≥98%

Synonyms

Fmoc-Cys(StBu)-OH | (2R)-3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butyldisulfanyl)propanoic acid | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(tert-butylthio)-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(tert-butylthio)-L-cysteine is a cysteine derivative.

Specifications

Synonyms

Fmoc-Cys(StBu)-OH | (2R)-3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butyldisulfanyl)propanoic acid | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(tert-butylthio)-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)SSCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2R)-3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: ZDUMTHLUTJOUML-IBGZPJMESA-N
• INCHI: 1S/C22H25NO4S2/c1-22(2,3)29-28-13-19(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)SSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Molecular Weight: 431.57
• Reaxy-Rn: 8084990
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8084990&ln=

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 Dialkyldisulfides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds 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 - Organic disulfide - Dialkyldisulfide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organosulfur 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

Chemical and Physical Properties

• Boil Point(°C): 623℃ at 760 mmHg
• Melt Point(°C): 73-77℃
• Molecular Weight: 431.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 431.123 Da
• Monoisotopic Mass: 431.123 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 558.000
• 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