(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((diphenyl(p-tolyl)methyl)amino)hexanoic acid - ≥97% , CAS No.198544-94-4

CAS: 198544-94-4 Cat. No.: R587964 Molecular Weight: 624.8

GRADE & PURITY ≥97%

Synonyms

D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(4-methylphenyl)diphenylmethyl]- | DTXSID60679796 | J-012824 | DS-6174 | N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~6~-[(4-methylphenyl)(diphenyl)methyl]-D-lysine | N-alpha-(9-Fluorenylmethyloxycarbonyl

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

D-Lysine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(4-methylphenyl)diphenylmethyl]- | DTXSID60679796 | J-012824 | DS-6174 | N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~6~-[(4-methylphenyl)(diphenyl)methyl]-D-lysine | N-alpha-(9-Fluorenylmethyloxycarbonyl

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
• IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanoic acid
• InChIKey: YPTNAIDIXCOZAJ-KXQOOQHDSA-N
• INCHI: 1S/C41H40N2O4/c1-29-23-25-32(26-24-29)41(30-14-4-2-5-15-30,31-16-6-3-7-17-31)42-27-13-12-22-38(39(44)45)43-40(46)47-28-37-35-20-10-8-18-33(35)34-19-9-11-21-36(34)37/h2-11,14-21,23-26,37-38,42H,12-13,22,27-28H2,1H3,(H,43,46)(H,44,45)/t38-/m1/s1
• Isomeric SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
• Molecular Weight: 624.8
• Reaxy-Rn: 8527202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8527202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Fluorenes Alpha amino acids and derivatives Medium-chain fatty acids Toluenes Aralkylamines Amino fatty acids Carbamate esters Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenyl compound - Fluorene - Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Toluene - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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: 624.800 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 624.299 Da
• Monoisotopic Mass: 624.299 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 942.000
• 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