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(+)-jasplakinolide Z2

Go to external page http://purl.obolibrary.org/obo/CHEBI_68275

A depsipeptide isolated from Jaspis splendens.

Term info

Label

(+)-jasplakinolide Z2

Synonyms
  • N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]-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)-1-(4-hydroxyphenyl)-3-methoxy-3-oxopropyl]-Nalpha-methyl-D-tryptophanamide [ IUPAC ]

charge

0

formula

C37H49BrN4O7

has obo namespace

chebi_ontology

id

CHEBI:68275

inchi

InChI=1S/C37H49BrN4O7/c1-21(16-22(2)18-24(4)43)17-23(3)35(46)39-25(5)37(48)42(6)32(19-29-28-10-8-9-11-30(28)40-34(29)38)36(47)41-31(20-33(45)49-7)26-12-14-27(44)15-13-26/h8-16,22-25,31-32,40,43-44H,17-20H2,1-7H3,(H,39,46)(H,41,47)/b21-16+/t22-,23-,24-,25-,31+,32+/m0/s1

inchikey

SAOHIQDCGBINCP-KVSNERESSA-N

mass

741.71200

monoisotopicmass

740.27846

smiles

COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H](C)C[C@H](C)O)c1ccc(O)cc1