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CHEBI:208616 - Nicrophorusamide B

Default Structure
ChEBI IDCHEBI:208616
ChEBI NameNicrophorusamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56ClN9O7
Net Charge0
Average Mass774.364
Monoisotopic Mass773.39912
SMILESCC[C@@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccc(Cl)cc23)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChIInChI=1S/C37H56ClN9O7/c1-7-20(6)31-37(54)42-25(9-8-12-39)32(49)44-28(16-29(40)48)33(50)43-27(14-21-17-41-24-11-10-22(38)15-23(21)24)35(52)46-30(19(4)5)36(53)45-26(13-18(2)3)34(51)47-31/h10-11,15,17-20,25-28,30-31,41H,7-9,12-14,16,39H2,1-6H3,(H2,40,48)(H,42,54)(H,43,50)(H,44,49)(H,45,53)(H,46,52)(H,47,51)/t20-,25+,26-,27+,28-,30-,31+/m1/s1
InChIKeyPEMAVRCFFHULRD-LPSNZJNWSA-N
Species of MetaboliteComponentSourceComments
Microbacteriumspecies (ncbitaxon:51671) - PubMed (29112406)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nicrophorusamide B (CHEBI:208616) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Manual XrefsDatabases
78441678ChemSpider