CHEBI:100585 - N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
ChEBI ID CHEBI:100585
Stars This entity has been manually annotated by a third party.
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Formula C24H37N3O6S
Net Charge 0
Average Mass 495.634
Monoisotopic Mass 495.24031
InChI InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1
InChIKey LHVPUDAVHZTECS-JLHGSKIFSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C
ChEBI Ontology
Outgoing N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide (CHEBI:100585) is a azamacrocycle (CHEBI:52898)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide (CHEBI:100585) is a lactam (CHEBI:24995)
Manual Xref Database
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