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CHEBI:113386 - (8S,9S)-9-[[(3-hydroxyphenyl)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:113386
ChEBI Name(8S,9S)-9-[[(3-hydroxyphenyl)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
FormulaC23H35N5O4
Net Charge0
Average Mass445.564
Monoisotopic Mass445.26890
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1cccc(O)c1
InChIInChI=1S/C23H35N5O4/c1-17-11-28(18(2)15-29)23(31)8-5-9-27-13-20(24-25-27)16-32-22(17)14-26(3)12-19-6-4-7-21(30)10-19/h4,6-7,10,13,17-18,22,29-30H,5,8-9,11-12,14-16H2,1-3H3/t17-,18-,22+/m0/s1
InChIKeyHYDPWGICXZADLJ-NPPFBWRTSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-9-[[(3-hydroxyphenyl)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:113386) is a azamacrocycle (CHEBI:52898)
(8S,9S)-9-[[(3-hydroxyphenyl)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:113386) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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