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CHEBI:111154 - 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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-methyl-3-phenylurea

ChEBI IDCHEBI:111154
ChEBI Name1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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-methyl-3-phenylurea
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DownloadsMolfile
FormulaC31H46N4O5
Net Charge0
Average Mass554.732
Monoisotopic Mass554.34682
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccccc1
InChIInChI=1S/C31H46N4O5/c1-22-19-35(23(2)21-36)30(37)27-18-26(33(4)5)15-16-28(27)40-24(3)12-10-11-17-39-29(22)20-34(6)31(38)32-25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,36H,10-12,17,19-21H2,1-6H3,(H,32,38)/t22-,23-,24+,29+/m1/s1
InChIKeyKAHNNCGHTWSOBA-CHCBTGSZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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-methyl-3-phenylurea (CHEBI:111154) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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-methyl-3-phenylurea (CHEBI:111154) is a lactam (CHEBI:24995)
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