H-Arg(Pbf)-OH·H2O - ≥98% , CAS No.200115-86-2

CAS: 200115-86-2 Cat. No.: H191899 Molecular Weight: 426.53(anhy) EC Number: 606-419-0 PubChem CID: 7408375

GRADE & PURITY ≥98%

Synonyms

(S)-2-Amino-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl) guanidino)pentanoic acid | GVIXTVCDNCXXSH-AWEZNQCLSA-N | Nomega-(2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine | Nw-((2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-2-Amino-5-(3-(2, 2, 4, 6, 7-pentamethyl-2, 3-dihydrobenzofuran-5-ylsulfonyl) guanidino)pentanoic acid | GVIXTVCDNCXXSH-AWEZNQCLSA-N | Nomega-(2, 2, 4, 6, 7-Pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine | Nw-((2, 2, 4, 6, 7-Pentamethyl-2, 3-dihydrobenzofuran-5

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196242
• Canonical Smiles: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)N)N)C
• IUPAC Name: (2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid
• InChIKey: GVIXTVCDNCXXSH-AWEZNQCLSA-N
• INCHI: 1S/C19H30N4O5S/c1-10-11(2)16(12(3)13-9-19(4,5)28-15(10)13)29(26,27)23-18(21)22-8-6-7-14(20)17(24)25/h14H,6-9,20H2,1-5H3,(H,24,25)(H3,21,22,23)/t14-/m0/s1
• Isomeric SMILES: CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)C
• PubChem CID: 7408375
• Molecular Weight: 426.53(anhy)

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 Alpha amino acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Coumarans Alkyl aryl ethers Benzenoids Organosulfonic acids and derivatives Aminosulfonyl compounds Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: L-alpha-amino acid - Coumaran - Alkyl aryl ether - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Guanidine - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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: 426.500 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 426.194 Da
• Monoisotopic Mass: 426.194 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 733.000
• 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