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CHEBI:96991 - (8S,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96991
ChEBI Name(8S,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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DownloadsMolfile
FormulaC23H33Cl2N5O3
Net Charge0
Average Mass498.455
Monoisotopic Mass497.19605
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H33Cl2N5O3/c1-16-10-30(17(2)14-31)23(32)5-4-8-29-12-19(26-27-29)15-33-22(16)13-28(3)11-18-6-7-20(24)21(25)9-18/h6-7,9,12,16-17,22,31H,4-5,8,10-11,13-15H2,1-3H3/t16-,17-,22+/m0/s1
InChIKeyATJIIPBEGAKQFE-PNLZDCPESA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96991) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96991) is a lactam (CHEBI:24995)
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