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CHEBI:97031 - 1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:97031
ChEBI Name1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC20H36N6O4
Net Charge0
Average Mass424.546
Monoisotopic Mass424.27980
SMILESCC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H36N6O4/c1-14(2)22-20(29)24(5)11-18-15(3)10-25(16(4)12-27)19(28)7-6-8-26-17(13-30-18)9-21-23-26/h9,14-16,18,27H,6-8,10-13H2,1-5H3,(H,22,29)/t15-,16-,18-/m1/s1
InChIKeyNAXYJFNCLMAYPS-JFIYKMOQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:97031) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:97031) is a lactam (CHEBI:24995)
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