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CHEBI:201343 - Nocardiamide A

ChEBI IDCHEBI:201343
ChEBI NameNocardiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58N6O7
Net Charge0
Average Mass686.895
Monoisotopic Mass686.43670
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C36H58N6O7/c1-11-22(10)30-36(49)38-26(17-23-12-14-24(43)15-13-23)32(45)39-28(20(6)7)34(47)41-29(21(8)9)35(48)40-27(19(4)5)33(46)37-25(16-18(2)3)31(44)42-30/h12-15,18-22,25-30,43H,11,16-17H2,1-10H3,(H,37,46)(H,38,49)(H,39,45)(H,40,48)(H,41,47)(H,42,44)/t22-,25+,26-,27+,28+,29-,30-/m0/s1
InChIKeyIWXQKCGWVSNLIQ-NQPQJUOKSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies CNX037 (ncbitaxon:1329900) - PubMed (23586970)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nocardiamide A (CHEBI:201343) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6R,9R,12S,15R,18S)-3-[(2S)-butan-2-yl]-18-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-9,12,15-tri(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
29355665ChemSpider