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CHEBI:96855 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96855
ChEBI Name(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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DownloadsMolfile
FormulaC23H35N5O3
Net Charge0
Average Mass429.565
Monoisotopic Mass429.27399
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1
InChIInChI=1S/C23H35N5O3/c1-18-12-28(19(2)16-29)23(30)10-7-11-27-14-21(24-25-27)17-31-22(18)15-26(3)13-20-8-5-4-6-9-20/h4-6,8-9,14,18-19,22,29H,7,10-13,15-17H2,1-3H3/t18-,19+,22-/m1/s1
InChIKeyAIVZVDBTBOXKNA-XQBPLPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96855) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96855) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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