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CHEBI:96109 - (8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96109
ChEBI Name(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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FormulaC29H39N5O4
Net Charge0
Average Mass521.662
Monoisotopic Mass521.30020
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C29H39N5O4/c1-22-16-34(23(2)20-35)29(36)10-7-15-33-18-25(30-31-33)21-37-28(22)19-32(3)17-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,18,22-23,28,35H,7,10,15-17,19-21H2,1-3H3/t22-,23+,28+/m0/s1
InChIKeyWVGLRASGSLBUCZ-SXDGJLEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96109) is a aromatic ether (CHEBI:35618)
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