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CHEBI:112616 - 1-[[(8S,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-[2-(4-morpholinyl)-4-pyridinyl]urea

ChEBI IDCHEBI:112616
ChEBI Name1-[[(8S,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-[2-(4-morpholinyl)-4-pyridinyl]urea
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DownloadsMolfile
FormulaC26H40N8O5
Net Charge0
Average Mass544.657
Monoisotopic Mass544.31217
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Nc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H40N8O5/c1-19-14-34(20(2)17-35)25(36)5-4-8-33-15-22(29-30-33)18-39-23(19)16-31(3)26(37)28-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13,15,19-20,23,35H,4-5,8-12,14,16-18H2,1-3H3,(H,27,28,37)/t19-,20-,23+/m0/s1
InChIKeyPUSZFNDBKFADMS-SXWKCWPCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,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-[2-(4-morpholinyl)-4-pyridinyl]urea (CHEBI:112616) is a azamacrocycle (CHEBI:52898)
1-[[(8S,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-[2-(4-morpholinyl)-4-pyridinyl]urea (CHEBI:112616) is a lactam (CHEBI:24995)
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