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CHEBI:96804 - N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester

ChEBI IDCHEBI:96804
ChEBI NameN-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester
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DownloadsMolfile
FormulaC23H33N5O5
Net Charge0
Average Mass459.547
Monoisotopic Mass459.24817
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C23H33N5O5/c1-17-12-28(18(2)15-29)22(30)10-7-11-27-13-19(24-25-27)16-32-21(17)14-26(3)23(31)33-20-8-5-4-6-9-20/h4-6,8-9,13,17-18,21,29H,7,10-12,14-16H2,1-3H3/t17-,18-,21-/m0/s1
InChIKeyNWYXEXAEFWIOJN-WFXMLNOXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester (CHEBI:96804) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester (CHEBI:96804) is a lactam (CHEBI:24995)
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