CHEBI:112485 - (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

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ChEBI Name (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
ChEBI ID CHEBI:112485
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H40N6O4
Net Charge 0
Average Mass 500.635
Monoisotopic Mass 500.31110
InChI InChI=1S/C26H40N6O4/c1-19-13-32(20(2)17-33)26(34)6-5-9-31-15-22(27-28-31)18-36-25(19)16-29(3)14-21-7-8-23-24(12-21)35-11-10-30(23)4/h7-8,12,15,19-20,25,33H,5-6,9-11,13-14,16-18H2,1-4H3/t19-,20-,25-/m1/s1
InChIKey VRVGAAPGNIASDT-UMEGOILYSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@H](C)CO
ChEBI Ontology
Outgoing (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:112485) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:112485) is a lactam (CHEBI:24995)
Manual Xref Database
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