Products 138626-63-8

CAS 138626-63-8 is the registry number for Deoxymulundocandin. Offered by: Creative Peptides, MedChemExpress. Available pack sizes: on request, Get quote.

Deoxymulundocandin
Creative Peptides, MedChemExpress
  • size: on request, Get quote
  • Variants: 2
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Structural formula: {0} (CAS {1})

12-methyl-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide (CAS 138626-63-8) is a chemical compound with the molecular formula C48H77N7O15 and a molecular weight of 992.2 g/mol. IUPAC name: 12-methyl-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide. InChIKey: GWBOEEVOSDBARW-SPXLVGSKSA-N.

Identity
Molecular formulaC48H77N7O15
Molecular weight992.2 g/mol
IUPAC name12-methyl-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(hydroxymethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]tetradecanamide
InChIKeyGWBOEEVOSDBARW-SPXLVGSKSA-N
SMILESCCC(C)CCCCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H](CC4=CC=C(C=C4)O)O)CO)C)O)O)O

Computed by PubChem (NCBI)

Synonyms: Deoxymulundocandin, orb1702362