CHEBI:104628 - 4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
ChEBI ID CHEBI:104628
Stars This entity has been manually annotated by a third party.
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Formula C30H52N4O5
Net Charge 0
Average Mass 548.759
Monoisotopic Mass 548.39377
InChI InChI=1S/C30H52N4O5/c1-22-19-34(23(2)21-35)30(37)26-18-25(32(6)7)14-15-27(26)39-24(3)12-9-10-17-38-28(22)20-33(8)29(36)13-11-16-31(4)5/h14-15,18,22-24,28,35H,9-13,16-17,19-21H2,1-8H3/t22-,23-,24+,28-/m0/s1
InChIKey FCDOAUZTELHSSL-UKWMHNODSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:104628) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:104628) is a lactam (CHEBI:24995)
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