EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:104589 - N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:104589
ChEBI NameN-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC28H45N5O6S
Net Charge0
Average Mass579.764
Monoisotopic Mass579.30906
SMILESC[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2cn(C)cn2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChIInChI=1S/C28H45N5O6S/c1-20-15-33(21(2)18-34)28(35)24-14-23(30(4)5)11-12-25(24)39-22(3)10-8-9-13-38-26(20)16-32(7)40(36,37)27-17-31(6)19-29-27/h11-12,14,17,19-22,26,34H,8-10,13,15-16,18H2,1-7H3/t20-,21-,22+,26-/m0/s1
InChIKeyUJYZNBPSVBHVBP-IFOBJOEFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:104589) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:104589) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-15952LINCS