2-fluoranyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid

Systemtic Name: 2-fluoranyl-2-[2-[methyl(phenylmethoxycarbonyl)amino]-4-[3-oxidanylidene-3-(4-phenylbutylamino)-1-(phenylsulfonylamino)propyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-[benzyloxycarbonyl(methyl)amino]phenoxy]-2-fluoro-acetic acid CAS Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-[methyl(phenylmethoxycarbonyl)amino]phenoxy]-2-fluoroacetic acid IUPAC Name: 2-[4-[1-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]-2-[methyl(phenylmethoxycarbonyl)amino]phenoxy]-2-fluoroacetic acid Traditional Name: 2-[4-[1-(benzenesulfonamido)-3-keto-3-(4-phenylbutylamino)propyl]-2-[carbobenzoxy(methyl)amino]phenoxy]-2-fluoro-acetic acid Formula: C36H38FN3O8S MolecularWeight: 691.765623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)C(CC(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)OC(C(=O)O)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C1=C(C=CC(=C1)C(CC(=O)NCCCCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)OC(C(=O)O)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H38FN3O8S/c1-40(36(44)47-25-27-16-7-3-8-17-27)31-23-28(20-21-32(31)48-34(37)35(42)43)30(39-49(45,46)29-18-9-4-10-19-29)24-33(41)38-22-12-11-15-26-13-5-2-6-14-26/h2-10,13-14,16-21,23,30,34,39H,11-12,15,22,24-25H2,1H3,(H,38,41)(H,42,43)