CHEBI:96320 - (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
ChEBI ID CHEBI:96320
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H37N5O4
Net Charge 0
Average Mass 459.583
Monoisotopic Mass 459.28455
InChI InChI=1S/C24H37N5O4/c1-18-12-29(19(2)16-30)24(31)9-6-10-28-14-21(25-26-28)17-33-23(18)15-27(3)13-20-7-5-8-22(11-20)32-4/h5,7-8,11,14,18-19,23,30H,6,9-10,12-13,15-17H2,1-4H3/t18-,19-,23-/m0/s1
InChIKey RQWMQWHENJCHFR-YDHSSHFGSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC(=CC=C3)OC)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96320) is a azamacrocycle (CHEBI:52898)
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96320) is a lactam (CHEBI:24995)
Manual Xref Database
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