CHEBI:106911 - 1-[[(3S,9R,10S)-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]-3-(4-methoxyphenyl)-1-methylurea

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ChEBI Name 1-[[(3S,9R,10S)-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]-3-(4-methoxyphenyl)-1-methylurea
ChEBI ID CHEBI:106911
Stars This entity has been manually annotated by a third party.
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Formula C32H48N4O6
Net Charge 0
Average Mass 584.748
Monoisotopic Mass 584.35739
InChI InChI=1S/C32H48N4O6/c1-22-19-36(23(2)21-37)31(38)28-18-26(34(4)5)13-16-29(28)42-24(3)10-8-9-17-41-30(22)20-35(6)32(39)33-25-11-14-27(40-7)15-12-25/h11-16,18,22-24,30,37H,8-10,17,19-21H2,1-7H3,(H,33,39)/t22-,23+,24-,30-/m0/s1
InChIKey IYJPIDGCXVWPNR-PUMORYBASA-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=CC=C(C=C3)OC
ChEBI Ontology
Outgoing 1-[[(3S,9R,10S)-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]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:106911) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9R,10S)-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]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:106911) is a lactam (CHEBI:24995)
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