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CHEBI:96057 - 1-[[(8R,9S)-6-[(2S)-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-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:96057
ChEBI Name1-[[(8R,9S)-6-[(2S)-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-methyl-3-propan-2-ylurea
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FormulaC20H36N6O4
Net Charge0
Average Mass424.546
Monoisotopic Mass424.27980
SMILESCC(C)NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H36N6O4/c1-14(2)21-20(29)24(5)11-18-15(3)9-26(16(4)12-27)19(28)7-6-8-25-10-17(13-30-18)22-23-25/h10,14-16,18,27H,6-9,11-13H2,1-5H3,(H,21,29)/t15-,16+,18-/m1/s1
InChIKeyUNRRBHFUILMFRI-SOLBZPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-6-[(2S)-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-methyl-3-propan-2-ylurea (CHEBI:96057) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2S)-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-methyl-3-propan-2-ylurea (CHEBI:96057) is a lactam (CHEBI:24995)
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