CHEBI:126287 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]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-[oxo(pyridin-4-yl)methyl]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:126287
Stars This entity has been manually annotated by a third party.
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Formula C34H43N5O6
Net Charge 0
Average Mass 617.736
Monoisotopic Mass 617.32133
InChI InChI=1S/C34H43N5O6/c1-23-20-39(24(2)22-40)34(43)29-19-28(37-32(41)26-10-14-35-15-11-26)8-9-30(29)45-25(3)7-5-6-18-44-31(23)21-38(4)33(42)27-12-16-36-17-13-27/h8-17,19,23-25,31,40H,5-7,18,20-22H2,1-4H3,(H,37,41)/t23-,24+,25-,31-/m0/s1
InChIKey INBITKGVNBCCNN-PBANKSGMSA-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)C(=O)C4=CC=NC=C4
ChEBI Ontology
Outgoing N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126287) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126287) is a lactam (CHEBI:24995)
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Last Modified
03 March 2016