Capreomycin sulfate from Streptomyces capreolus - antibacterial peptide , CAS No.1405-37-4

CAS: 1405-37-4 Cat. No.: C477559 Molecular Weight: 750.78 EC Number: 215-776-8 PubChem CID: 22836615

GRADE & PURITY antibacterial peptide

Synonyms

CCG-270439 | AKOS025310793 | CAPREOMYCINSULFATE | A911135 | CAPREOMYCIN, SULFATE (SALT) | (2S)-2,5-Diamino-N-(((2S,5S,11S,15S,Z)-15-amino-11-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-8-(ureidomethylene)-1,4,7,10,13-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Capreomycin is used to study bacterial ribosomal subunit interactions and translocation processes during protein synthesis. It is a second line antibiotic and is used to study multidrug-resistant tuberculosis.

Preparation instructions

Sparingly soluble in water.

Specifications

Synonyms

CCG-270439 | AKOS025310793 | CAPREOMYCINSULFATE | A911135 | CAPREOMYCIN, SULFATE (SALT) | (2S)-2, 5-Diamino-N-(((2S, 5S, 11S, 15S, Z)-15-amino-11-(2-amino-3, 4, 5, 6-tetrahydropyrimidin-4-yl)-2-(hydroxymethyl)-3, 6, 9, 12, 16-pentaoxo-8-(ureidomethylene)-1, 4, 7, 10, 13-

Specifications & Purity

antibacterial peptide

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.

Names and Identifiers

• Canonical Smiles: C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)C(CCCN)N)CO)N)N.OS(=O)(=O)O
• IUPAC Name: (2S)-2,5-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]pentanamide;sulfuric acid
• InChIKey: LFFNIXQXRKNZCE-XYHGUWSSSA-N
• INCHI: 1S/C24H42N14O8.H2O4S/c25-4-1-2-10(26)17(40)32-7-13-19(42)34-14(8-33-24(29)46)20(43)38-16(12-3-5-30-23(28)37-12)22(45)31-6-11(27)18(41)36-15(9-39)21(44)35-13;1-5(2,3)4/h8,10-13,15-16,39H,1-7,9,25-27H2,(H,31,45)(H,32,40)(H,34,42)(H,35,44)(H,36,41)(H,38,43)(H3,28,30,37)(H3,29,33,46);(H2,1,2,3,4)/b14-8-;/t10-,11-,12?,13-,15-,16-;/m0./s1
• Isomeric SMILES: C1CN=C(NC1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)[C@H](CCCN)N)CO)N)N.OS(=O)(=O)O
• WGK Germany: 3
• RTECS: EX8930000
• PubChem CID: 22836615
• Molecular Weight: 750.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Cyclic peptides Macrolactams Alpha amino acid amides Beta amino acids and derivatives Organic sulfuric acids N-acyl amines Hydropyrimidines Vinylogous amides Secondary carboxylic acid amides Ureas Guanidines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Primary alcohols Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Sulfuric acid - Fatty amide - Fatty acyl - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - N-acyl-amine - Vinylogous amide - Organic sulfuric acid or derivatives - Urea - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Lactam - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

• Solubility: H2O: 50mg/mL
• Boil Point(°C): 1377℃
• Molecular Weight: 752.800 g/mol
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 9
• Exact Mass: 752.298 Da
• Monoisotopic Mass: 752.298 Da
• Topological Polar Surface Area: 461.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3