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CHEBI:112620 - 1-[[(8S,9S)-6-[(2S)-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-[2-(4-morpholinyl)-4-pyridinyl]urea

ChEBI IDCHEBI:112620
ChEBI Name1-[[(8S,9S)-6-[(2S)-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-[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)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Nc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H40N8O5/c1-19-15-33(20(2)17-35)25(36)5-4-8-34-22(14-28-30-34)18-39-23(19)16-31(3)26(37)29-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13-14,19-20,23,35H,4-5,8-12,15-18H2,1-3H3,(H,27,29,37)/t19-,20-,23+/m0/s1
InChIKeyRIHXBZGHHXCGPP-SXWKCWPCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9S)-6-[(2S)-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-[2-(4-morpholinyl)-4-pyridinyl]urea (CHEBI:112620) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9S)-6-[(2S)-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-[2-(4-morpholinyl)-4-pyridinyl]urea (CHEBI:112620) is a lactam (CHEBI:24995)
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