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CHEBI:224070 - Noursamycin D

ChEBI IDCHEBI:224070
ChEBI NameNoursamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54ClN9O8
Net Charge0
Average Mass776.336
Monoisotopic Mass775.37839
SMILESCC(C)C[C@@H]1NC(=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)NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C36H54ClN9O8/c1-16(2)12-24-32(50)44-26(17(3)4)34(52)41-23(8-7-11-38)31(49)46-28(29(47)30(39)48)36(54)43-25(33(51)45-27(18(5)6)35(53)42-24)13-19-15-40-22-10-9-20(37)14-21(19)22/h9-10,14-18,23-29,40,47H,7-8,11-13,38H2,1-6H3,(H2,39,48)(H,41,52)(H,42,53)(H,43,54)(H,44,50)(H,45,51)(H,46,49)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
InChIKeyLTKBOWGNSBCMCF-BMGWUDNWSA-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 D (CHEBI:224070) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S)-2-[(2S,5S,8S,11S,14S,17S)-17-(3-aminopropyl)-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8,14-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide