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CHEBI:96985 - (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96985
ChEBI Name(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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DownloadsMolfile
FormulaC29H39N5O3
Net Charge0
Average Mass505.663
Monoisotopic Mass505.30529
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H39N5O3/c1-22-16-34(23(2)20-35)29(36)10-7-15-33-18-27(30-31-33)21-37-28(22)19-32(3)17-24-11-13-26(14-12-24)25-8-5-4-6-9-25/h4-6,8-9,11-14,18,22-23,28,35H,7,10,15-17,19-21H2,1-3H3/t22-,23-,28-/m0/s1
InChIKeyPZMMCWSZGDQDET-LXWOLXCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96985) is a azamacrocycle (CHEBI:52898)
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96985) is a lactam (CHEBI:24995)
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