N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide (CHEBI:97565)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:97565 - N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:97565
ChEBI Name	N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide
Stars
Downloads	Molfile

Formula	C31H38FN3O6S
Net Charge	0
Average Mass	599.725
Monoisotopic Mass	599.24654
SMILES	COc1cccc(S(=O)(=O)Nc2ccc3c(c2)OC[C@H](C)N(Cc2ccccc2F)C[C@@H](C)[C@@H](OC)CN(C)C3=O)c1
InChI	InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22+,30+/m1/s1
InChIKey	WUHLCXCEWBJVDE-DGIFUFQNSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide (CHEBI:97565) is a azamacrocycle (CHEBI:52898)
	N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide (CHEBI:97565) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-8944	LINCS