CHEBI:106878 - 1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:106878
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H44N4O6
Net Charge 0
Average Mass 556.695
Monoisotopic Mass 556.32609
InChI InChI=1S/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21-,22-,28+/m1/s1
InChIKey QZYXNEJVPTWBHC-KUMFRPPMSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC
ChEBI Ontology
Outgoing 1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:106878) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:106878) is a lactam (CHEBI:24995)
Manual Xref Database
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