(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide Openeye Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide CAS Name: (2S)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide IUPAC Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide Traditional Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2R,3R)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propionamide Formula: C26H22F3N3O3S MolecularWeight: 513.53139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)F)NC(=O)CC4=CC(=CC(=C4)F)F

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)F)NC(=O)CC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C26H22F3N3O3S/c1-14(30-22(33)12-15-10-18(28)13-19(29)11-15)25(34)32-23-24(16-6-8-17(27)9-7-16)36-21-5-3-2-4-20(21)31-26(23)35/h2-11,13-14,23-24H,12H2,1H3,(H,30,33)(H,31,35)(H,32,34)/t14-,23-,24+/m0/s1