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CHEBI:97111 - 1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:97111
ChEBI Name1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
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FormulaC22H36N4O4
Net Charge0
Average Mass420.554
Monoisotopic Mass420.27366
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C)C[C@@H]1C
InChIInChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16-,20+/m0/s1
InChIKeyAADVJQLQUVDEBP-TWOQFEAHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:97111) is a azamacrocycle (CHEBI:52898)
1-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:97111) is a lactam (CHEBI:24995)
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