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CHEBI:130627 - 1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

ChEBI IDCHEBI:130627
ChEBI Name1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
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DownloadsMolfile
FormulaC37H56N4O6
Net Charge0
Average Mass652.877
Monoisotopic Mass652.41999
SMILESCOc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)NC4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C37H56N4O6/c1-26-22-41(27(2)25-42)36(43)33-21-31(39-37(44)38-30-12-7-6-8-13-30)16-19-34(33)47-28(3)11-9-10-20-46-35(26)24-40(4)23-29-14-17-32(45-5)18-15-29/h14-19,21,26-28,30,35,42H,6-13,20,22-25H2,1-5H3,(H2,38,39,44)/t26-,27-,28-,35+/m1/s1
InChIKeyZMXRTTQUHKREAD-GBJJYOARSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:130627) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:130627) is a lactam (CHEBI:24995)
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