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CHEBI:224060 - Noursamycin A

ChEBI IDCHEBI:224060
ChEBI NameNoursamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54ClN9O8
Net Charge0
Average Mass824.380
Monoisotopic Mass823.37839
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccc(Cl)cc23)NC(=O)[C@H]([C@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChIInChI=1S/C40H54ClN9O8/c1-5-21(4)31-39(57)45-27(12-9-15-42)35(53)50-32(33(51)34(43)52)40(58)47-29(17-23-19-44-26-14-13-24(41)18-25(23)26)37(55)48-30(20(2)3)38(56)46-28(36(54)49-31)16-22-10-7-6-8-11-22/h6-8,10-11,13-14,18-21,27-33,44,51H,5,9,12,15-17,42H2,1-4H3,(H2,43,52)(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,49,54)(H,50,53)/t21-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKeyAUAKLAUQIRQCCF-OMVKYWSTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31181917)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Noursamycin A (CHEBI:224060) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide