CHEBI:100049 - N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide

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ChEBI Name N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:100049
Stars This entity has been manually annotated by a third party.
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Formula C30H39N3O6
Net Charge 0
Average Mass 537.648
Monoisotopic Mass 537.28389
InChI InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21-,27+/m0/s1
InChIKey ZEGIYGLHXRHVDM-NOMHHCBYSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4
ChEBI Ontology
Outgoing N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:100049) is a azamacrocycle (CHEBI:52898)
N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:100049) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-11428 LINCS
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