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CHEBI:102041 - (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

ChEBI IDCHEBI:102041
ChEBI Name(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
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DownloadsMolfile
FormulaC31H47N3O4
Net Charge0
Average Mass525.734
Monoisotopic Mass525.35666
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25-,30+/m0/s1
InChIKeyOPCOPDBCCFUTHV-YDXRHMNESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:102041) is a azamacrocycle (CHEBI:52898)
(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one (CHEBI:102041) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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