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CHEBI:111143 - 1-[(3R,9S,10R)-12-[(2S)-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]-3-propan-2-ylurea

ChEBI IDCHEBI:111143
ChEBI Name1-[(3R,9S,10R)-12-[(2S)-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]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC34H52N4O6
Net Charge0
Average Mass612.812
Monoisotopic Mass612.38869
SMILESCOc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)NC(C)C)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32-/m1/s1
InChIKeyJCVAFPCEYZSYDX-VUKRRIEASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,9S,10R)-12-[(2S)-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]-3-propan-2-ylurea (CHEBI:111143) is a azamacrocycle (CHEBI:52898)
1-[(3R,9S,10R)-12-[(2S)-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]-3-propan-2-ylurea (CHEBI:111143) is a lactam (CHEBI:24995)
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