1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104446)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104446 - 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Take structure to advanced search

ChEBI ID	CHEBI:104446
ChEBI Name	1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
Stars
Downloads	Molfile

Formula	C24H37F3N4O4
Net Charge	0
Average Mass	502.578
Monoisotopic Mass	502.27669
SMILES	CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C
InChI	InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21+/m0/s1
InChIKey	LWXKGGIJWSHZGV-XGHQBKJUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104446) is a azamacrocycle (CHEBI:52898)
	1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104446) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15810	LINCS