Viomycin , CAS No.32988-50-4

CAS: 32988-50-4 Cat. No.: V1040150 Número EC: 251-323-0 PubChem CID: 135398671

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1C(N=C(NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N
• IUPAC Name: (3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide
• InChIKey: GXFAIFRPOKBQRV-GHXCTMGLSA-N
• INCHI: 1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1
• Isómeros SMILES: C1[C@@H](N=C(N[C@H]1O)N)[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)CO)CO)NC(=O)C[C@H](CCCN)N
• CAS alternativo: 32988-50-4
• PubChem CID: 135398671
• Términos de entrada MeSH: Celiomycin;Florimycin;Tuberactinomycin B;Vinactane;Viocin;Viomicin;Viomycin;Viomycins

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Macrolactams Beta amino acids and derivatives N-acyl amines Hydropyrimidines Vinylogous amides Ureas Secondary carboxylic acid amides Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Carboximidamides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organopnictogen compounds Primary alcohols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hybrid peptide - N-acyl-alpha amino acid or derivatives - Macrolactam - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-acyl-amine - Fatty amide - Fatty acyl - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Vinylogous amide - Lactam - Urea - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Amino acid or derivatives - Carbonic acid derivative - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Primary amine - Primary aliphatic amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: peptide antibiotic - heterodetic cyclic peptide

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

Propiedades químicas y físicas

• Peso molecular: 685.700 g/mol
• XLogP3: -7.000
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 685.326 Da
• Monoisotopic Mass: 685.326 Da
• Topological Polar Surface Area: 393.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1280.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1