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CHEBI:104791 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:104791
ChEBI NameN-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC28H40N4O5
Net Charge0
Average Mass512.651
Monoisotopic Mass512.29987
SMILESCNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20+,21-,26-/m0/s1
InChIKeyUGHRLCJQQBYBPV-LMMUWCHVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:104791) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:104791) is a lactam (CHEBI:24995)
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