N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide (CHEBI:111885)

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CHEBI:111885 - N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide

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ChEBI ID	CHEBI:111885
ChEBI Name	N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
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Downloads	Molfile

Formula	C27H32F3N3O8S
Net Charge	0
Average Mass	615.627
Monoisotopic Mass	615.18622
SMILES	CO[C@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)CC(F)(F)F)cc2OC[C@H](C)N(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1C
InChI	InChI=1S/C27H32F3N3O8S/c1-16-11-33(25(34)18-5-8-21-23(9-18)41-15-40-21)17(2)13-39-22-10-19(31-42(36,37)14-27(28,29)30)6-7-20(22)26(35)32(3)12-24(16)38-4/h5-10,16-17,24,31H,11-15H2,1-4H3/t16-,17-,24-/m0/s1
InChIKey	IFTYRDLVJFCQIR-UAVUOLJFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide (CHEBI:111885) is a azamacrocycle (CHEBI:52898)
	N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide (CHEBI:111885) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23298	LINCS