Fmoc-Nim-Boc-D-histidine cyclohexylammonium salt - ≥98% , CAS No.210755-31-0

CAS: 210755-31-0 Cat. No.: F338611 Molecular Weight: 576.68 PubChem CID: 56777027

GRADE & PURITY ≥98%

Synonyms

Fmoc-D-His(Boc)-OH×CHA

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-D-His(Boc)-OH×CHA

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201755
• Canonical Smiles: CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.C1CCC(CC1)N
• IUPAC Name: cyclohexanamine;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
• InChIKey: UDEXYAHZNOKVIG-VZYDHVRKSA-N
• INCHI: 1S/C26H27N3O6.C6H13N/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;7-6-4-2-1-3-5-6/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31);6H,1-5,7H2/t22-;/m1./s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1C=C(N=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.C1CCC(CC1)N
• PubChem CID: 56777027
• Molecular Weight: 576.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Histidine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Histidine and derivatives
• Alternative Parents: Fluorenes Imidazolyl carboxylic acids and derivatives Cyclohexylamines Carbonylimidazoles N-substituted imidazoles Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Histidine or derivatives - Fluorene - Imidazolyl carboxylic acid derivative - Imidazole-1-carbonyl group - Cyclohexylamine - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: 576.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 576.295 Da
• Monoisotopic Mass: 576.295 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 808.000
• 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: 2

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