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CHEBI:96853 - 3-cyclopentyl-1-[[(8S,9R)-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-methylurea

ChEBI IDCHEBI:96853
ChEBI Name3-cyclopentyl-1-[[(8S,9R)-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-methylurea
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DownloadsMolfile
FormulaC22H38N6O4
Net Charge0
Average Mass450.584
Monoisotopic Mass450.29545
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H38N6O4/c1-16-11-28(17(2)14-29)21(30)9-6-10-27-12-19(24-25-27)15-32-20(16)13-26(3)22(31)23-18-7-4-5-8-18/h12,16-18,20,29H,4-11,13-15H2,1-3H3,(H,23,31)/t16-,17-,20-/m0/s1
InChIKeyNHKODMKPZBXGEI-ZWOKBUDYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclopentyl-1-[[(8S,9R)-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-methylurea (CHEBI:96853) is a azamacrocycle (CHEBI:52898)
3-cyclopentyl-1-[[(8S,9R)-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-methylurea (CHEBI:96853) is a lactam (CHEBI:24995)
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