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CHEBI:96862 - N-[[(8R,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]-N-methyl-4-phenylbenzenesulfonamide

ChEBI IDCHEBI:96862
ChEBI NameN-[[(8R,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]-N-methyl-4-phenylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC28H37N5O5S
Net Charge0
Average Mass555.701
Monoisotopic Mass555.25154
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H37N5O5S/c1-21-17-32(22(2)19-34)28(35)10-7-15-33-25(16-29-30-33)20-38-27(21)18-31(3)39(36,37)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-6,8-9,11-14,16,21-22,27,34H,7,10,15,17-20H2,1-3H3/t21-,22+,27-/m1/s1
InChIKeyBKQPNZMATHQHFX-UMTXDNHDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,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]-N-methyl-4-phenylbenzenesulfonamide (CHEBI:96862) is a azamacrocycle (CHEBI:52898)
N-[[(8R,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]-N-methyl-4-phenylbenzenesulfonamide (CHEBI:96862) is a lactam (CHEBI:24995)
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