CHEBI:103740 - (8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
ChEBI ID CHEBI:103740
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H35N5O4
Net Charge 0
Average Mass 445.556
Monoisotopic Mass 445.26890
InChI InChI=1S/C23H35N5O4/c1-17-12-27(18(2)15-29)23(31)5-4-10-28-20(11-24-25-28)16-32-22(17)14-26(3)13-19-6-8-21(30)9-7-19/h6-9,11,17-18,22,29-30H,4-5,10,12-16H2,1-3H3/t17-,18-,22-/m1/s1
InChIKey QPXXSBPXMIWUTR-JBYIUTFZSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)O)[C@H](C)CO
ChEBI Ontology
Outgoing (8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:103740) is a azamacrocycle (CHEBI:52898)
(8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:103740) is a lactam (CHEBI:24995)
Manual Xref Database
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