3-[(1S,11S,17E,22R)-3,7,10,20,23-pentakis(oxidanylidene)spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide

Systemtic Name: 3-[(1S,11S,17E,22R)-3,7,10,20,23-pentakis(oxidanylidene)spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide Openeye Name: 3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]-N-(2,2,2-trifluoroethyl)propanamide CAS Name: 3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxo-22-spiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]yl]-N-(2,2,2-trifluoroethyl)propanamide IUPAC Name: 3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaoxospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]-N-(2,2,2-trifluoroethyl)propanamide Traditional Name: 3-[(1S,11S,17E,22R)-3,7,10,20,23-pentaketospiro[2-oxa-13,14-dithia-6,9,21,24-tetrazabicyclo[9.7.6]tetracos-17-ene-8,1'-cyclopropane]-22-yl]-N-(2,2,2-trifluoroethyl)propionamide Formula: C24H32F3N5O7S2 MolecularWeight: 623.66539

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSCC2C(=O)NC3(CC3)C(=O)NCCC(=O)OC(CC(=O)NC(C(=O)N2)CCC(=O)NCC(F)(F)F)C=C1

Isomeric SMILES

C\1CSSC[C@@H]2C(=O)NC3(CC3)C(=O)NCCC(=O)O[C@@H](CC(=O)N[C@@H](C(=O)N2)CCC(=O)NCC(F)(F)F)/C=C1

InChI

InChI=1S/C24H32F3N5O7S2/c25-24(26,27)13-29-17(33)5-4-15-20(36)31-16-12-41-40-10-2-1-3-14(11-18(34)30-15)39-19(35)6-9-28-22(38)23(7-8-23)32-21(16)37/h1,3,14-16H,2,4-13H2,(H,28,38)(H,29,33)(H,30,34)(H,31,36)(H,32,37)/b3-1+/t14-,15-,16-/m1/s1