(2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]propanamide

Systemtic Name: (2S)-2-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-[(6R,7R)-5-oxidanylidene-7-phenyl-1,4-thiazepan-6-yl]propanamide Openeye Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]propanamide CAS Name: (2S)-2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-N-[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]propanamide IUPAC Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(6R,7R)-5-oxo-7-phenyl-1,4-thiazepan-6-yl]propanamide Traditional Name: (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(6R,7R)-5-keto-7-phenyl-1,4-thiazepan-6-yl]propionamide Formula: C22H23F2N3O3S MolecularWeight: 447.498126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(SCCNC1=O)C2=CC=CC=C2)NC(=O)CC3=CC(=CC(=C3)F)F

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1[C@H](SCCNC1=O)C2=CC=CC=C2)NC(=O)CC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C22H23F2N3O3S/c1-13(26-18(28)11-14-9-16(23)12-17(24)10-14)21(29)27-19-20(15-5-3-2-4-6-15)31-8-7-25-22(19)30/h2-6,9-10,12-13,19-20H,7-8,11H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t13-,19-,20+/m0/s1