CHEBI:113345 - (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)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 (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
ChEBI ID CHEBI:113345
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H39N5O4
Net Charge 0
Average Mass 521.652
Monoisotopic Mass 521.30020
InChI InChI=1S/C29H39N5O4/c1-22-16-34(23(2)20-35)29(36)10-7-15-33-18-25(30-31-33)21-37-28(22)19-32(3)17-24-11-13-27(14-12-24)38-26-8-5-4-6-9-26/h4-6,8-9,11-14,18,22-23,28,35H,7,10,15-17,19-21H2,1-3H3/t22-,23+,28-/m0/s1
InChIKey WVGLRASGSLBUCZ-JWZKTCGFSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)N=N2)[C@H](C)CO
ChEBI Ontology
Outgoing (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113345) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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