4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:128272)

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CHEBI:128272 - 4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide

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ChEBI ID	CHEBI:128272
ChEBI Name	4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H46F3N3O7S
Net Charge	0
Average Mass	685.806
Monoisotopic Mass	685.30086
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C33H46F3N3O7S/c1-22-9-12-27(13-10-22)47(43,44)37-26-11-14-29-28(18-26)32(42)39(24(3)21-40)19-23(2)30(45-17-7-6-8-25(4)46-29)20-38(5)31(41)15-16-33(34,35)36/h9-14,18,23-25,30,37,40H,6-8,15-17,19-21H2,1-5H3/t23-,24-,25-,30+/m0/s1
InChIKey	CMRLNGHJTMMURI-DNHJLFCISA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:128272) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[(4-methylphenyl)sulfonylamino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide (CHEBI:128272) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39827	LINCS