CHEBI:112499 - 3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
ChEBI ID CHEBI:112499
Stars This entity has been manually annotated by a third party.
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Formula C22H35N7O5
Net Charge 0
Average Mass 477.558
Monoisotopic Mass 477.26997
InChI InChI=1S/C22H35N7O5/c1-14-9-29(15(2)12-30)20(31)7-6-8-28-10-18(24-26-28)13-33-19(14)11-27(5)22(32)23-21-16(3)25-34-17(21)4/h10,14-15,19,30H,6-9,11-13H2,1-5H3,(H,23,32)/t14-,15-,19+/m1/s1
InChIKey ZMFVFBQYBHAIKE-CLCXKQKWSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=C(ON=C3C)C)N=N2)[C@H](C)CO
ChEBI Ontology
Outgoing 3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:112499) is a azamacrocycle (CHEBI:52898)
3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:112499) is a lactam (CHEBI:24995)
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