CHEBI:113521 - (8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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 ID CHEBI:113521
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H35N5O5
Net Charge 0
Average Mass 473.566
Monoisotopic Mass 473.26382
InChI InChI=1S/C24H35N5O5/c1-17-10-29(18(2)14-30)24(31)5-4-8-28-12-20(25-26-28)15-32-23(17)13-27(3)11-19-6-7-21-22(9-19)34-16-33-21/h6-7,9,12,17-18,23,30H,4-5,8,10-11,13-16H2,1-3H3/t17-,18+,23-/m1/s1
InChIKey ZLSVBQPGKZIPOU-IEGUWTFLSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing (8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:113521) is a azamacrocycle (CHEBI:52898)
(8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:113521) is a lactam (CHEBI:24995)
Manual Xref Database
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