CHEBI:104732 - 3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-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]-1-methylurea

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ChEBI Name 3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-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]-1-methylurea
ChEBI ID CHEBI:104732
Stars This entity has been manually annotated by a third party.
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Formula C32H46N4O7
Net Charge 0
Average Mass 598.731
Monoisotopic Mass 598.33665
InChI InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22+,23-,30-/m1/s1
InChIKey SIEZSLVXLUPDNY-UAXFNLPOSA-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)NC3=CC4=C(C=C3)OCO4
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-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]-1-methylurea (CHEBI:104732) is a azamacrocycle (CHEBI:52898)
3-(1,3-benzodioxol-5-yl)-1-[[(3R,9S,10R)-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]-1-methylurea (CHEBI:104732) is a lactam (CHEBI:24995)
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