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CHEBI:104596 - 1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-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]urea

ChEBI IDCHEBI:104596
ChEBI Name1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-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]urea
Stars
DownloadsMolfile
FormulaC29H48N4O5
Net Charge0
Average Mass532.726
Monoisotopic Mass532.36247
SMILESCNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C29H48N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h13-14,16,20-23,27,30,34H,5-12,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21+,22-,27+/m1/s1
InChIKeyHLGABPGRBQKPOU-RYBWSMFQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-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]urea (CHEBI:104596) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2S)-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]urea (CHEBI:104596) is a lactam (CHEBI:24995)
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