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(+)-jasplakinolide Z5

Go to external page http://purl.obolibrary.org/obo/CHEBI_68280

A depsipeptide isolated from Jaspis splendens.

Term info

Label

(+)-jasplakinolide Z5

Synonyms
  • N-[(2S,4E,6R,8S)-8-{[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]oxy}-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-Nalpha-methyl-D-tryptophanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,4E,6R,8S)-8-{[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]oxy}-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-Nalpha-methyl-D-tryptophanamide [ IUPAC ]

charge

0

formula

C36H45BrN4O8

has obo namespace

chebi_ontology

id

CHEBI:68280

inchi

InChI=1S/C36H45BrN4O8/c1-19(13-20(2)15-22(4)49-32(45)18-30(43)24-11-12-29(42)31(44)16-24)14-21(3)35(47)39-23(5)36(48)41(6)28(34(38)46)17-26-25-9-7-8-10-27(25)40-33(26)37/h7-13,16,20-23,28,40,42,44H,14-15,17-18H2,1-6H3,(H2,38,46)(H,39,47)/b19-13+/t20-,21-,22-,23-,28+/m0/s1

inchikey

WLNVNURVJRCGBS-DPFRTYBKSA-N

mass

741.66900

monoisotopicmass

740.24208

smiles

C[C@@H](C[C@@H](C)\C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(N)=O)OC(=O)CC(=O)c1ccc(O)c(O)c1