CHEBI:106746 - N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

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ChEBI Name N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:106746
Stars This entity has been manually annotated by a third party.
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Formula C31H46N4O5
Net Charge 0
Average Mass 554.722
Monoisotopic Mass 554.34682
InChI InChI=1S/C31H46N4O5/c1-6-16-34(5)20-29-22(2)19-35(23(3)21-36)31(38)27-18-26(33-30(37)25-12-14-32-15-13-25)10-11-28(27)40-24(4)9-7-8-17-39-29/h10-15,18,22-24,29,36H,6-9,16-17,19-21H2,1-5H3,(H,33,37)/t22-,23+,24+,29+/m0/s1
InChIKey UGZNIWWZAWAINA-CMSZEEODSA-N
SMILES CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C
ChEBI Ontology
Outgoing N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:106746) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:106746) is a lactam (CHEBI:24995)
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