CHEBI:220607 - SF5280-415

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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 SF5280-415
ChEBI ID CHEBI:220607
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H38N6O4
Net Charge 0
Average Mass 630.749
Monoisotopic Mass 630.29545
InChI InChI=1S/C37H38N6O4/c1-20(2)16-26-32(46)42-28(30(44)38-26)18-36(22-12-6-8-14-24(22)40-34(36)42)37-19-29-31(45)39-27(17-21-10-4-3-5-11-21)33(47)43(29)35(37)41-25-15-9-7-13-23(25)37/h3-15,20,26-29,34-35,40-41H,16-19H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,28-,29-,34-,35-,36?,37+/m0/s1
InChIKey QQLUWDJRGUSAKT-VQMOZPKLSA-N
SMILES O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@H](CC(C)C)NC([C@@H]8C6)=O)C[C@H]2C(=O)N[C@H]1CC9=CC=CC=C9
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing SF5280-415 (CHEBI:220607) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4S,7S,9S)-4-benzyl-9-[(1S,4S,7S,9S)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
64063737 ChemSpider
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