EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104510 - 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:104510
ChEBI Name1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESCO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2cocn2)C[C@H]1C
InChIInChI=1S/C25H37N5O5/c1-16(2)27-25(32)28-19-7-8-21-22(9-19)35-13-18(4)30(11-20-14-34-15-26-20)10-17(3)23(33-6)12-29(5)24(21)31/h7-9,14-18,23H,10-13H2,1-6H3,(H2,27,28,32)/t17-,18-,23+/m1/s1
InChIKeyBBWOUVGAXSHUEL-PNCHPQGNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104510) is a azamacrocycle (CHEBI:52898)
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104510) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-15874LINCS