1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104440)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104440 - 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

Take structure to advanced search

ChEBI ID	CHEBI:104440
ChEBI Name	1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
Stars
Downloads	Molfile

Formula	C27H39N5O4
Net Charge	0
Average Mass	497.640
Monoisotopic Mass	497.30020
SMILES	CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccncc1)[C@@H](C)CO2
InChI	InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-7-8-24-23(14-22)26(33)31(4)17-25(35-5)19(2)15-32(20(3)18-36-24)16-21-9-12-28-13-10-21/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1
InChIKey	DCHCVUMEJAAHBI-OHUGHZGNSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104440) is a azamacrocycle (CHEBI:52898)
	1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104440) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-15804	LINCS