FMOC-LYS(BOC)(ME)-OH - ≥97% , CAS No.951695-85-5

CAS: 951695-85-5 Cat. No.: N339312 Molecular Weight: 482.57 EC Number: 804-412-9

GRADE & PURITY ≥97%

Synonyms

N~6~-(tert-Butoxycarbonyl)-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N~6~-methyl-L-lysine | Fmoc-Lys(Boc,Me)-OH | MFCD01861332 | A14947 | DTXSID70657020 | Fmoc-Lys(Me,Boc)-OH, AldrichCPR | N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-t-butyl-oxycarbon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N~6~-(tert-Butoxycarbonyl)-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N~6~-methyl-L-lysine | Fmoc-Lys(Boc, Me)-OH | MFCD01861332 | A14947 | DTXSID70657020 | Fmoc-Lys(Me, Boc)-OH, AldrichCPR | N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-epsilon-t-butyl-oxycarbon

Specifications & Purity

≥97%

Storage

Store at -20°C

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: CC(C)(C)OC(=O)N(C)CCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
• InChIKey: JHMSFOFHTAYQLS-QHCPKHFHSA-N
• INCHI: 1S/C27H34N2O6/c1-27(2,3)35-26(33)29(4)16-10-9-15-23(24(30)31)28-25(32)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,32)(H,30,31)/t23-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Alternate CAS: 7622-29-9
• Molecular Weight: 482.57

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: Alpha amino acids and derivatives Medium-chain fatty acids Branched fatty acids Amino fatty acids Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Fatty acid - Fatty acyl - Carbamic acid ester - Tertiary amine - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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

• Refractive Index: n20D~1.57 (Predicted)
• Melt Point(°C): 85-87° C
• Molecular Weight: 482.600 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 482.242 Da
• Monoisotopic Mass: 482.242 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 714.000
• 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