CHEBI:213115 - Nostosin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nostosin C
ChEBI ID CHEBI:213115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H35N5O4
Net Charge 0
Average Mass 433.553
Monoisotopic Mass 433.26890
InChI InChI=1S/C22H35N5O4/c1-3-15(2)20(21(31)26-17(14-28)7-5-13-25-22(23)24)27-19(30)8-4-6-16-9-11-18(29)12-10-16/h9-12,14-15,17,20,29H,3-8,13H2,1-2H3,(H,26,31)(H,27,30)(H4,23,24,25)/t15-,17-,20-/m0/s1
InChIKey QJGKRJNQRBRVMM-KNBMTAEXSA-N
SMILES O=C(N[C@H](C=O)CCCN=C(N)N)[C@@H](NC(=O)CCCC1=CC=C(O)C=C1)[C@H](CC)C
Metabolite of Species Details
Nostoc (NCBI:txid1177) See: PubMed
ChEBI Ontology
Outgoing Nostosin C (CHEBI:213115) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[4-(4-hydroxyphenyl)butanoylamino]-3-methylpentanamide