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CHEBI:103468 - 1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

ChEBI IDCHEBI:103468
ChEBI Name1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
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DownloadsMolfile
FormulaC35H47N5O5
Net Charge0
Average Mass617.791
Monoisotopic Mass617.35772
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
InChIInChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33+/m1/s1
InChIKeyLMYACBAJSFEPOG-CYNXIGLJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:103468) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:103468) is a lactam (CHEBI:24995)
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