CHEBI:104843 - N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)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,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)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:104843
Stars This entity has been manually annotated by a third party.
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Formula C32H47N5O6
Net Charge 0
Average Mass 597.747
Monoisotopic Mass 597.35263
InChI InChI=1S/C32H47N5O6/c1-21(2)34-32(41)36(6)19-29-22(3)18-37(23(4)20-38)31(40)27-17-26(35-30(39)25-12-14-33-15-13-25)10-11-28(27)43-24(5)9-7-8-16-42-29/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H,34,41)(H,35,39)/t22-,23+,24-,29+/m0/s1
InChIKey SEDRIVHSDUVLLE-HNFJUSDZSA-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)NC(C)C
ChEBI Ontology
Outgoing N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:104843) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:104843) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016