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CHEBI:122598 - 1-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Default Structure
ChEBI IDCHEBI:122598
ChEBI Name1-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC22H36N4O6S
Net Charge0
Average Mass484.619
Monoisotopic Mass484.23556
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(S(C)(=O)=O)C[C@H]1C
InChIInChI=1S/C22H36N4O6S/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)32-13-16(4)26(33(7,29)30)11-15(3)20(31-6)12-25(5)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20-/m1/s1
InChIKeyPQUFACNXJQCPAH-JXXFODFXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:122598) is a azamacrocycle (CHEBI:52898)
1-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:122598) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-34041LINCS