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CHEBI:112497 - (8S,9S)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:112497
ChEBI Name(8S,9S)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
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DownloadsMolfile
FormulaC26H39N5O5
Net Charge0
Average Mass501.628
Monoisotopic Mass501.29512
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccc2c1OCCCO2
InChIInChI=1S/C26H39N5O5/c1-19-14-30(20(2)17-32)25(33)9-5-10-31-22(13-27-28-31)18-36-24(19)16-29(3)15-21-7-4-8-23-26(21)35-12-6-11-34-23/h4,7-8,13,19-20,24,32H,5-6,9-12,14-18H2,1-3H3/t19-,20-,24+/m0/s1
InChIKeyXBPVHNZVBFLVIV-MZLICYQSSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112497) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112497) is a lactam (CHEBI:24995)
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