CHEBI:113300 - (8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]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,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
ChEBI ID CHEBI:113300
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H37N5O3
Net Charge 0
Average Mass 443.583
Monoisotopic Mass 443.28964
InChI InChI=1S/C24H37N5O3/c1-18-7-9-21(10-8-18)13-27(4)15-23-19(2)12-29(20(3)16-30)24(31)6-5-11-28-14-22(17-32-23)25-26-28/h7-10,14,19-20,23,30H,5-6,11-13,15-17H2,1-4H3/t19-,20-,23+/m1/s1
InChIKey XSAFYGBYABXFOO-VIZSFHNOSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C)N=N2)[C@H](C)CO
ChEBI Ontology
Outgoing (8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113300) is a azamacrocycle (CHEBI:52898)
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113300) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-24711 LINCS
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