CHEBI:219000 - Rimosamide C

ChEBI IDCHEBI:219000
ChEBI NameRimosamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N4O7
Net Charge0
Average Mass546.665
Monoisotopic Mass546.30535
SMILESCCC(C)[C@H](N)C(=O)N1CCC[C@H]1[C@H](CC(=O)O)OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C28H42N4O7/c1-5-18(4)25(29)27(37)32-13-9-12-21(32)22(15-24(34)35)39-28(38)20(14-19-10-7-6-8-11-19)31-23(33)16-30-26(36)17(2)3/h6-8,10-11,17-18,20-22,25H,5,9,12-16,29H2,1-4H3,(H,30,36)(H,31,33)(H,34,35)/t18?,20-,21-,22-,25-/m0/s1
InChIKeyXOHAWTZWSLESAQ-BYMLLSERSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27809474)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rimosamide C (CHEBI:219000) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(3S)-3-[(2S)-1-[(2S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]-3-[(2S)-2-[[2-(2-methylpropanoylamino)acetyl]amino]-3-phenylpropanoyl]oxypropanoic acid