EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122592 - 1-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:122592
ChEBI Name1-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC25H40N4O4
Net Charge0
Average Mass460.619
Monoisotopic Mass460.30496
SMILESCO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C
InChIInChI=1S/C25H40N4O4/c1-16(2)26-25(31)27-20-9-10-22-21(11-20)24(30)28(5)14-23(32-6)17(3)12-29(13-19-7-8-19)18(4)15-33-22/h9-11,16-19,23H,7-8,12-15H2,1-6H3,(H2,26,27,31)/t17-,18-,23-/m1/s1
InChIKeyOBNHYLURRDQSSE-PMAPCBKXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:122592) is a azamacrocycle (CHEBI:52898)
1-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:122592) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-34035LINCS