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(+)-jasplakinolide Z1

Go to external page http://purl.obolibrary.org/obo/CHEBI_68274

A depsipeptide isolated from Jaspis splendens.

Term info

Label

(+)-jasplakinolide Z1

Synonyms
  • N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-2-carboxy-1-(4-hydroxyphenyl)ethyl]-Nalpha-methyl-D-tryptophanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-2-carboxy-1-(4-hydroxyphenyl)ethyl]-Nalpha-methyl-D-tryptophanamide [ IUPAC ]

charge

0

formula

C36H47BrN4O7

has obo namespace

chebi_ontology

id

CHEBI:68274

inchi

InChI=1S/C36H47BrN4O7/c1-20(15-21(2)17-23(4)42)16-22(3)34(46)38-24(5)36(48)41(6)31(18-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(19-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1

inchikey

PPXQSUWEWPAOGM-DHKPLNAMSA-N

mass

727.68500

monoisotopicmass

726.26281

smiles

C[C@H](O)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(=O)N[C@H](CC(O)=O)c1ccc(O)cc1