CHEBI:107025 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(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]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(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]urea
ChEBI ID CHEBI:107025
Stars This entity has been manually annotated by a third party.
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Formula C31H49N5O6
Net Charge 0
Average Mass 587.752
Monoisotopic Mass 587.36828
InChI InChI=1S/C31H49N5O6/c1-8-14-35(7)18-28-20(2)17-36(21(3)19-37)30(38)26-16-25(32-31(39)33-29-23(5)34-42-24(29)6)12-13-27(26)41-22(4)11-9-10-15-40-28/h12-13,16,20-22,28,37H,8-11,14-15,17-19H2,1-7H3,(H2,32,33,39)/t20-,21+,22+,28+/m0/s1
InChIKey WONHJTSKSOPZKP-CLYWQNBRSA-N
SMILES CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(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]urea (CHEBI:107025) is a azamacrocycle (CHEBI:52898)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(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]urea (CHEBI:107025) is a lactam (CHEBI:24995)
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