4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:110964)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110964 - 4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:110964
ChEBI Name	4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
Stars
Downloads	Molfile

Formula	C28H40ClN3O6S
Net Charge	0
Average Mass	582.163
Monoisotopic Mass	581.23263
SMILES	CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C28H40ClN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20+,21-,27+/m0/s1
InChIKey	WPSSTONNMATWEF-ZZWZOVRCSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:110964) is a azamacrocycle (CHEBI:52898)
	4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:110964) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22408	LINCS