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CHEBI:106958 - N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

ChEBI IDCHEBI:106958
ChEBI NameN-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
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DownloadsMolfile
FormulaC30H49N3O7S
Net Charge0
Average Mass595.803
Monoisotopic Mass595.32912
SMILESC[C@@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1
InChIInChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-41(5,37)38)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)29(35)24-12-7-6-8-13-24/h14-15,17,21-24,28,31,34H,6-13,16,18-20H2,1-5H3/t21-,22-,23+,28-/m0/s1
InChIKeyBJJOMMAJAORXGV-QKFCCHLXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:106958) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:106958) is a lactam (CHEBI:24995)
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