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CHEBI:110952 - 1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:110952
ChEBI Name1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC35H48N4O5
Net Charge0
Average Mass604.792
Monoisotopic Mass604.36247
SMILESC[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33-/m0/s1
InChIKeyUBYZDEGPUXBRQE-DSTDORTESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:110952) is a azamacrocycle (CHEBI:52898)
1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea (CHEBI:110952) is a lactam (CHEBI:24995)
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