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CHEBI:111128 - 1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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-(4-fluorophenyl)urea

ChEBI IDCHEBI:111128
ChEBI Name1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC33H47FN4O5
Net Charge0
Average Mass598.760
Monoisotopic Mass598.35305
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31-/m0/s1
InChIKeySTYUMYTXFXXJJW-PKWXPSSRSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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-(4-fluorophenyl)urea (CHEBI:111128) is a azamacrocycle (CHEBI:52898)
1-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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-(4-fluorophenyl)urea (CHEBI:111128) is a lactam (CHEBI:24995)
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