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CHEBI:213798 - Actinoramide C

ChEBI IDCHEBI:213798
ChEBI NameActinoramide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40N4O6
Net Charge0
Average Mass492.617
Monoisotopic Mass492.29478
SMILESCC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNN1C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C
InChIInChI=1S/C25H40N4O6/c1-5-20(30)18(14-17-10-7-6-8-11-17)27-24(33)19-12-9-13-26-29(19)25(34)22(23(32)16(2)3)28-21(31)15-35-4/h6-8,10-11,16,18-20,22-23,26,30,32H,5,9,12-15H2,1-4H3,(H,27,33)(H,28,31)/t18-,19-,20-,22+,23+/m0/s1
InChIKeyDPENGEYUBPGRBN-GHIJRLNRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21857753)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Actinoramide C (CHEBI:213798) is a dipeptide (CHEBI:46761)
IUPAC Name 
(3S)-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]-N-[(2S,3S)-3-hydroxy-1-phenylpentan-2-yl]diazinane-3-carboxamide
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28288933ChemSpider