CHEBI:113409 - N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-phenoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-phenoxybenzenesulfonamide
ChEBI ID CHEBI:113409
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H37N5O6S
Net Charge 0
Average Mass 571.690
Monoisotopic Mass 571.24646
InChI InChI=1S/C28H37N5O6S/c1-21-16-33(22(2)19-34)28(35)10-7-15-32-17-23(29-30-32)20-38-27(21)18-31(3)40(36,37)26-13-11-25(12-14-26)39-24-8-5-4-6-9-24/h4-6,8-9,11-14,17,21-22,27,34H,7,10,15-16,18-20H2,1-3H3/t21-,22+,27+/m0/s1
InChIKey SYWTUHWEQAODFK-OREGWCPLSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N=N2)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-phenoxybenzenesulfonamide (CHEBI:113409) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-24819 LINCS
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