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CHEBI:214448 - Nostamide A

ChEBI IDCHEBI:214448
ChEBI NameNostamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H59N7O9
Net Charge0
Average Mass842.007
Monoisotopic Mass841.43743
SMILESCCC(C)C1NC(=O)C(NC(=O)NC(Cc2ccccc2)C(=O)O)CCCCNC(=O)C(CCc2ccc(O)cc2)NC(=O)CN(C)C(=O)C(CCc2ccccc2)NC1=O
InChIInChI=1S/C45H59N7O9/c1-4-29(2)39-42(57)48-36(25-21-30-13-7-5-8-14-30)43(58)52(3)28-38(54)47-35(24-20-31-18-22-33(53)23-19-31)40(55)46-26-12-11-17-34(41(56)51-39)49-45(61)50-37(44(59)60)27-32-15-9-6-10-16-32/h5-10,13-16,18-19,22-23,29,34-37,39,53H,4,11-12,17,20-21,24-28H2,1-3H3,(H,46,55)(H,47,54)(H,48,57)(H,51,56)(H,59,60)(H2,49,50,61)
InChIKeyCTLZWDJBHPYFAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc punctiforme PCC 73102 (ncbitaxon:63737) - PubMed (20338518)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostamide A (CHEBI:214448) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[12-butan-2-yl-3-[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid