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CHEBI:96593 - (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:96593
ChEBI Name(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
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DownloadsMolfile
FormulaC22H34N6O3
Net Charge0
Average Mass430.553
Monoisotopic Mass430.26924
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C22H34N6O3/c1-17-12-27(18(2)15-29)22(30)5-4-10-28-20(11-24-25-28)16-31-21(17)14-26(3)13-19-6-8-23-9-7-19/h6-9,11,17-18,21,29H,4-5,10,12-16H2,1-3H3/t17-,18-,21-/m1/s1
InChIKeyNJZPXWDDBMYIMJ-DBXWQHBBSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96593) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96593) is a lactam (CHEBI:24995)
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