N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:100339)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100339 - N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:100339
ChEBI Name	N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
Stars
Downloads	Molfile

Formula	C28H33FN4O7S
Net Charge	0
Average Mass	588.658
Monoisotopic Mass	588.20540
SMILES	CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2)C[C@H]1C
InChI	InChI=1S/C28H33FN4O7S/c1-17-14-33(41(36,37)22-9-6-20(29)7-10-22)18(2)16-39-25-13-21(30-27(34)24-12-19(3)40-31-24)8-11-23(25)28(35)32(4)15-26(17)38-5/h6-13,17-18,26H,14-16H2,1-5H3,(H,30,34)/t17-,18-,26-/m1/s1
InChIKey	YFDKGQSBBJTRGV-UYPAYLBCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:100339) is a azamacrocycle (CHEBI:52898)
	N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:100339) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-11714	LINCS