H-Arg(MTR)-OH - ≥98% , CAS No.80745-10-4

CAS: 80745-10-4 Cat. No.: A100779 Molecular Weight: 386.47 Beilstein Registry Number: 5638377 EC Number: 846-621-8 PubChem CID: 7408178

GRADE & PURITY ≥98%

Synonyms

H-Arg(Mtr)-OH·1/2H2O Nω-(4-Methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

H-Arg(Mtr)-OH·1/2H2O Nω-(4-Methoxy-2, 3, 6-trimethylbenzenesulfonyl)-L-arginine

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: 488196239
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196239
• Canonical Smiles: CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)O)N)N)C)C)OC
• IUPAC Name: (2S)-2-amino-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoic acid
• InChIKey: FUSAEZSSVDNYPO-LBPRGKRZSA-N
• INCHI: 1S/C16H26N4O5S/c1-9-8-13(25-4)10(2)11(3)14(9)26(23,24)20-16(18)19-7-5-6-12(17)15(21)22/h8,12H,5-7,17H2,1-4H3,(H,21,22)(H3,18,19,20)/t12-/m0/s1
• Isomeric SMILES: CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N)N)C)C)OC
• WGK Germany: 3
• PubChem CID: 7408178
• Molecular Weight: 386.47
• Beilstein: 5638377

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: L-alpha-amino acids Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - L-alpha-amino acid - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Primary amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: 386.500 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 386.162 Da
• Monoisotopic Mass: 386.162 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 604.000
• 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