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CHEBI:101074 - 1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:101074
ChEBI Name1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC27H39N5O4
Net Charge0
Average Mass497.640
Monoisotopic Mass497.30020
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccccn2)C[C@H]1C
InChIInChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25-/m1/s1
InChIKeyYDXYYDXTJISMJT-OHUGHZGNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:101074) is a azamacrocycle (CHEBI:52898)
1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:101074) is a lactam (CHEBI:24995)
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