N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methylbenzenesulfonamide (CHEBI:117807)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117807 - N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methylbenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:117807
ChEBI Name	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methylbenzenesulfonamide
Stars
Downloads	Molfile

Formula	C30H45N3O6S
Net Charge	0
Average Mass	575.772
Monoisotopic Mass	575.30291
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C30H45N3O6S/c1-21-10-13-26(14-11-21)40(36,37)31-25-12-15-28-27(17-25)30(35)33(23(3)20-34)18-22(2)29(19-32(5)6)38-16-8-7-9-24(4)39-28/h10-15,17,22-24,29,31,34H,7-9,16,18-20H2,1-6H3/t22-,23+,24+,29-/m1/s1
InChIKey	PRCUBQSECBZBSK-CAFXQFFASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methylbenzenesulfonamide (CHEBI:117807) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-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-16-yl]-4-methylbenzenesulfonamide (CHEBI:117807) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29256	LINCS