N-[[(8S,9R)-6-[(2S)-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-5-phenyl-3-isoxazolecarboxamide (CHEBI:96347)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96347 - N-[[(8S,9R)-6-[(2S)-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-5-phenyl-3-isoxazolecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:96347
ChEBI Name	N-[[(8S,9R)-6-[(2S)-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-5-phenyl-3-isoxazolecarboxamide
Stars
Downloads	Molfile

Formula	C26H34N6O5
Net Charge	0
Average Mass	510.595
Monoisotopic Mass	510.25907
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)c1cc(-c2ccccc2)on1
InChI	InChI=1S/C26H34N6O5/c1-18-13-32(19(2)16-33)25(34)10-7-11-31-14-21(27-29-31)17-36-24(18)15-30(3)26(35)22-12-23(37-28-22)20-8-5-4-6-9-20/h4-6,8-9,12,14,18-19,24,33H,7,10-11,13,15-17H2,1-3H3/t18-,19-,24-/m0/s1
InChIKey	XYWPMUCHOREPKK-JXQFQVJHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8S,9R)-6-[(2S)-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-5-phenyl-3-isoxazolecarboxamide (CHEBI:96347) is a azamacrocycle (CHEBI:52898)
	N-[[(8S,9R)-6-[(2S)-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-5-phenyl-3-isoxazolecarboxamide (CHEBI:96347) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7726	LINCS