2-fluoranyl-2-[2-(methylamino)-4-[(2S)-3-oxidanylidene-3-(4-phenylbutylamino)-2-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-fluoranyl-2-[2-(methylamino)-4-[(2S)-3-oxidanylidene-3-(4-phenylbutylamino)-2-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(methylamino)phenoxy]-2-fluoro-acetic acid CAS Name: 2-[4-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(methylamino)phenoxy]-2-fluoroacetic acid IUPAC Name: 2-[4-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-(methylamino)phenoxy]-2-fluoroacetic acid Traditional Name: 2-[4-[(2S)-2-(benzenesulfonamido)-3-keto-3-(4-phenylbutylamino)propyl]-2-(methylamino)phenoxy]-2-fluoro-acetic acid Formula: C28H32FN3O6S MolecularWeight: 557.633583

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)CC(C(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)OC(C(=O)O)F

Isomeric SMILES

CNC1=C(C=CC(=C1)C[C@@H](C(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)OC(C(=O)O)F

InChI

InChI=1S/C28H32FN3O6S/c1-30-23-18-21(15-16-25(23)38-26(29)28(34)35)19-24(32-39(36,37)22-13-6-3-7-14-22)27(33)31-17-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-16,18,24,26,30,32H,8-9,12,17,19H2,1H3,(H,31,33)(H,34,35)/t24-,26?/m0/s1