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CHEBI:203432 - Actinoramide D

ChEBI IDCHEBI:203432
ChEBI NameActinoramide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45N7O9
Net Charge0
Average Mass659.741
Monoisotopic Mass659.32788
SMILESCOCC(=O)N[C@@H](C(=O)N1N=CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](C)C(=O)N[C@@H]1CCN(C(N)=O)C1=O)[C@H](O)C(C)C
InChIInChI=1S/C31H45N7O9/c1-17(2)25(40)24(36-23(39)16-47-4)30(45)38-22(11-8-13-33-38)28(43)35-21(15-19-9-6-5-7-10-19)26(41)18(3)27(42)34-20-12-14-37(29(20)44)31(32)46/h5-7,9-10,13,17-18,20-22,24-26,40-41H,8,11-12,14-16H2,1-4H3,(H2,32,46)(H,34,42)(H,35,43)(H,36,39)/t18-,20+,21-,22-,24+,25+,26-/m0/s1
InChIKeyCRUYDZSGTXQFQB-DNMAVYRHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 22278 (ncbitaxon:1692108) - PubMed (26465675)
ChEBI Ontology
Outgoing Relation(s)
Actinoramide D (CHEBI:203432) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(3S)-N-[(2S,3S,4S)-5-[[(3R)-1-carbamoyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-4,5-dihydro-3H-pyridazine-3-carboxamide
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78437013ChemSpider