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CHEBI:99235 - N-[[(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]-N-methyl-2-phenylacetamide

ChEBI IDCHEBI:99235
ChEBI NameN-[[(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]-N-methyl-2-phenylacetamide
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DownloadsMolfile
FormulaC32H47N3O5
Net Charge0
Average Mass553.744
Monoisotopic Mass553.35157
SMILESC[C@@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24+,25+,30-/m0/s1
InChIKeyZGCRSIABJPRXFC-RPQPUBLWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(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]-N-methyl-2-phenylacetamide (CHEBI:99235) is a azamacrocycle (CHEBI:52898)
N-[[(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]-N-methyl-2-phenylacetamide (CHEBI:99235) is a lactam (CHEBI:24995)
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