N-(9-Fluorenylmethoxycarbonyl)-L-cysteine - ≥96% , CAS No.135248-89-4

CAS: 135248-89-4 Cat. No.: F181255 Molecular Weight: 343.4

GRADE & PURITY ≥96%

Synonyms

Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- | (((9H-Fluoren-9-yl)methoxy)carbonyl)-L-cysteine | FMOC-CYS-OH | fmoc-cysteine | FD21248 | SCHEMBL14537499 | PD197198 | C18H17NO4S | N-Fmoc-L-cysteine | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfan

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- | (((9H-Fluoren-9-yl)methoxy)carbonyl)-L-cysteine | FMOC-CYS-OH | fmoc-cysteine | FD21248 | SCHEMBL14537499 | PD197198 | C18H17NO4S | N-Fmoc-L-cysteine | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfan

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504765902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765902
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CS)C(=O)O
• IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid
• InChIKey: RMTDKXQYAKLQKF-INIZCTEOSA-N
• INCHI: 1S/C18H17NO4S/c20-17(21)16(10-24)19-18(22)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,24H,9-10H2,(H,19,22)(H,20,21)/t16-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CS)C(=O)O
• Molecular Weight: 343.4
• Reaxy-Rn: 10369294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10369294&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 Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols 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 - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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

• Molecular Weight: 343.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 343.088 Da
• Monoisotopic Mass: 343.088 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 450.000
• 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