3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2R)-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]-1-methylurea (CHEBI:113333)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113333 - 3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2R)-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]-1-methylurea

Take structure to advanced search

ChEBI ID	CHEBI:113333
ChEBI Name	3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2R)-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]-1-methylurea
Stars
Downloads	Molfile

Formula	C27H42N6O4
Net Charge	0
Average Mass	514.671
Monoisotopic Mass	514.32675
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(C)(C)C)cc2)OCc2cn(nn2)CCCC1=O
InChI	InChI=1S/C27H42N6O4/c1-19-14-33(20(2)17-34)25(35)8-7-13-32-15-23(29-30-32)18-37-24(19)16-31(6)26(36)28-22-11-9-21(10-12-22)27(3,4)5/h9-12,15,19-20,24,34H,7-8,13-14,16-18H2,1-6H3,(H,28,36)/t19-,20+,24-/m0/s1
InChIKey	APMQHRQBDHMONS-ROKPMTFOSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2R)-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]-1-methylurea (CHEBI:113333) is a azamacrocycle (CHEBI:52898)
	3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2R)-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]-1-methylurea (CHEBI:113333) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-24744	LINCS