CHEBI:106727 - N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide
ChEBI ID CHEBI:106727
Stars This entity has been manually annotated by a third party.
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Formula C30H38N4O5S
Net Charge 0
Average Mass 566.714
Monoisotopic Mass 566.25629
InChI InChI=1S/C30H38N4O5S/c1-22-17-34(18-25-11-8-14-31-16-25)23(2)20-39-28-13-12-26(15-27(28)30(35)33(3)19-29(22)38-4)32-40(36,37)21-24-9-6-5-7-10-24/h5-16,22-23,29,32H,17-21H2,1-4H3/t22-,23-,29-/m1/s1
InChIKey LUADIBMUAAENJU-VDWGHMIBSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4
ChEBI Ontology
Outgoing N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide (CHEBI:106727) is a azamacrocycle (CHEBI:52898)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide (CHEBI:106727) is a lactam (CHEBI:24995)
Manual Xref Database
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