(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[C-[(2S)-1-(phenylsulfonyl)azetidin-2-yl]-N-[2,2,2-tris(fluoranyl)ethyl]carbonimidoyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[C-[(2S)-1-(phenylsulfonyl)azetidin-2-yl]-N-[2,2,2-tris(fluoranyl)ethyl]carbonimidoyl]amino]propanoic acid Openeye Name: (2S)-2-[[C-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(benzenesulfonyl)-2-azetidinyl]-(2,2,2-trifluoroethylimino)methyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[C-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid Traditional Name: (2S)-2-[[C-[(2S)-1-besylazetidin-2-yl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propionic acid Formula: C29H30F3N3O6S MolecularWeight: 605.62521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=NCC(F)(F)F)C3CCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=NCC(F)(F)F)[C@@H]3CCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30F3N3O6S/c1-40-24-9-6-10-25(41-2)26(24)20-13-11-19(12-14-20)17-22(28(36)37)34-27(33-18-29(30,31)32)23-15-16-35(23)42(38,39)21-7-4-3-5-8-21/h3-14,22-23H,15-18H2,1-2H3,(H,33,34)(H,36,37)/t22-,23-/m0/s1