4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:103473)

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CHEBI:103473 - 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

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ChEBI ID	CHEBI:103473
ChEBI Name	4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C30H47F3N4O6
Net Charge	0
Average Mass	616.722
Monoisotopic Mass	616.34477
SMILES	CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26-/m0/s1
InChIKey	WCMOVSVGEGOMDB-IFOBJOEFSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:103473) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:103473) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14817	LINCS