CHEBI:103596 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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:103596
Stars This entity has been manually annotated by a third party.
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Formula C34H45N5O5
Net Charge 0
Average Mass 603.753
Monoisotopic Mass 603.34207
InChI InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m0/s1
InChIKey ZCWFLIQXFDCFQH-FBIDWWCOSA-N
SMILES C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4
ChEBI Ontology
Outgoing N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:103596) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:103596) is a lactam (CHEBI:24995)
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