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(+)-jasplakinolide Z3

Go to external page http://purl.obolibrary.org/obo/CHEBI_68276

A depsipeptide isolated from Jaspis splendens.

Term info

Label

(+)-jasplakinolide Z3

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

charge

0

formula

C38H51BrN4O7

has obo namespace

chebi_ontology

id

CHEBI:68276

inchi

InChI=1S/C38H51BrN4O7/c1-8-50-34(46)21-32(27-13-15-28(45)16-14-27)42-37(48)33(20-30-29-11-9-10-12-31(29)41-35(30)39)43(7)38(49)26(6)40-36(47)24(4)18-22(2)17-23(3)19-25(5)44/h9-17,23-26,32-33,41,44-45H,8,18-21H2,1-7H3,(H,40,47)(H,42,48)/b22-17+/t23-,24-,25-,26-,32+,33+/m0/s1

inchikey

MQSADLRWWNQXKN-OUEARBRESA-N

mass

755.73800

monoisotopicmass

754.29411

smiles

CCOC(=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