N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:111147)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111147 - N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide

Take structure to advanced search

ChEBI ID	CHEBI:111147
ChEBI Name	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
Stars
Downloads	Molfile

Formula	C30H43N3O7S
Net Charge	0
Average Mass	589.755
Monoisotopic Mass	589.28217
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O
InChI	InChI=1S/C30H43N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h6-8,12-15,17,21-23,28,34H,9-11,16,18-20H2,1-5H3,(H,31,35)/t21-,22+,23-,28+/m0/s1
InChIKey	XHZKQAVNDGMQPU-WYNJNVBPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:111147) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:111147) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22590	LINCS