Fmoc-metrp(boc)-oh - ≥95% , CAS No.197632-75-0

CAS: 197632-75-0 Cat. No.: F182485 Molecular Weight: 540.6 EC Number: 870-680-9

GRADE & PURITY ≥95%

Synonyms

Fmoc-metrp(boc)-OH | MFCD02094403 | n-((9h-fluoren-9-ylmethoxy)carbonyl)-n-methyl-1-(((2-methyl-2-propanyl)oxy)carbonyl)-l-tryptophan | 1-Boc-N-Fmoc-N-methyl-L-tryptophan | L-Tryptophan,1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Fmoc-metrp(boc)-OH | MFCD02094403 | n-((9h-fluoren-9-ylmethoxy)carbonyl)-n-methyl-1-(((2-methyl-2-propanyl)oxy)carbonyl)-l-tryptophan | 1-Boc-N-Fmoc-N-methyl-L-tryptophan | L-Tryptophan, 1-[(1, 1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 488201758
• Canonical Smiles: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• IUPAC Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
• InChIKey: YMZUDCKQUKFBIR-NDEPHWFRSA-N
• INCHI: 1S/C32H32N2O6/c1-32(2,3)40-31(38)34-18-20(21-11-9-10-16-27(21)34)17-28(29(35)36)33(4)30(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26,28H,17,19H2,1-4H3,(H,35,36)/t28-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• Molecular Weight: 540.6
• Reaxy-Rn: 61712455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61712455&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: Indolecarboxylic acids Alpha amino acids and derivatives 3-alkylindoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Heteroaromatic compounds Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Indolecarboxylic acid - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Pyrrole-1-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic 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

• Molecular Weight: 540.600 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 540.226 Da
• Monoisotopic Mass: 540.226 Da
• Topological Polar Surface Area: 98.100 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 911.000
• 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