CHEBI:103405 - 1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:103405
Stars This entity has been manually annotated by a third party.
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Formula C27H46N4O5
Net Charge 0
Average Mass 506.679
Monoisotopic Mass 506.34682
InChI InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25+/m1/s1
InChIKey YWYDVFGOYOJBGO-YCFYUYSTSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C
ChEBI Ontology
Outgoing 1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea (CHEBI:103405) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]-3-propan-2-ylurea (CHEBI:103405) is a lactam (CHEBI:24995)
Manual Xref Database
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