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homoplatensimide A methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68248

A carboxylic ester of homoplatensimide A isolated from Streptomyces platensis.

Term info

Label

homoplatensimide A methyl ester

Synonyms
  • methyl N(2)-{(2E)-5-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]-2-methylpent-2-enoyl}-L-glutaminate
Subsets

3_STAR

IUPAC NAME
methyl N(2)-{(2E)-5-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]-2-methylpent-2-enoyl}-L-glutaminate [ IUPAC ]

charge

0

formula

C26H36N2O6

has obo namespace

chebi_ontology

id

CHEBI:68248

inchi

InChI=1S/C26H36N2O6/c1-15(22(31)28-17(23(32)33-4)7-8-20(27)30)6-5-10-24(2)19(29)9-11-26-13-16-12-18(21(24)26)34-25(16,3)14-26/h6,9,11,16-18,21H,5,7-8,10,12-14H2,1-4H3,(H2,27,30)(H,28,31)/b15-6+/t16-,17+,18+,21+,24-,25+,26+/m1/s1

inchikey

BVPNOTWJHHTSBH-XGSQICLUSA-N

mass

472.57380

monoisotopicmass

472.25734

smiles

[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CC\C=C(/C)C(=O)N[C@@H](CCC(N)=O)C(=O)OC)[C@]31[H]