CHEBI:100966 - N-[(2R,4aR,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2R,4aR,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide ChEBI ID CHEBI:100966 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H32F3N3O5 Net Charge 0 Average Mass 607.621 Monoisotopic Mass 607.22941 InChI InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29+/m1/s1 InChIKey CCWJWXJNOLFYBD-NLFWHDTNSA-N SMILES CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5 ChEBI Ontology Outgoing N-[(2R,4aR,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide (CHEBI:100966) is a (trifluoromethyl)benzenes (CHEBI:83565) Manual Xref Database LSM-12339 LINCS View more database links