vertilmicin - Moligand™ , CAS No.59711-97-6

CAS: 59711-97-6 Cat. No.: V614737 PubChem CID: 101268397

GRADE & PURITY Moligand™

Synonyms

GTPL11018 | (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol | Vertilmicin

Storage

Room temperature

Specifications

Synonyms

GTPL11018 | (2R, 3R, 4R, 5R)-2-[(1S, 2S, 3R, 4S, 6R)-4-amino-3-[[(2S, 3R)-3-amino-6-(1-aminoethyl)-3, 4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3, 5-diol | Vertilmicin

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)C(N)C
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
• InChIKey: QVRLHIRFLRXFIW-OFMFRWEUSA-N
• INCHI: 1S/C22H43N5O7/c1-5-27-13-8-12(25)17(33-20-11(24)6-7-14(32-20)10(2)23)15(28)18(13)34-21-16(29)19(26-4)22(3,30)9-31-21/h7,10-13,15-21,26-30H,5-6,8-9,23-25H2,1-4H3/t10?,11-,12+,13-,15+,16-,17-,18+,19-,20-,21-,22+/m1/s1
• Isomeric SMILES: CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)C(C)N)N)N
• PubChem CID: 101268397

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: O-glycosyl compounds Aminocyclitols and derivatives Cyclohexylamines Cyclohexanols Oxanes Monosaccharides Tertiary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino cyclitol glycoside - O-glycosyl compound - Glycosyl compound - Aminocyclitol or derivatives - Cyclohexylamine - Cyclohexanol - Oxane - Monosaccharide - Cyclitol or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
• 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