(2S)-2-[[4-[3-fluoranyl-4-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: (2S)-2-[[4-[3-fluoranyl-4-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: (2S)-2-[[4-[3-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3,3-dimethyl-butanoic acid CAS Name: (2S)-2-[[[4-[3-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: (2S)-2-[[4-[3-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3,3-dimethylbutanoic acid Traditional Name: (2S)-2-[[4-[3-fluoro-4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3,3-dimethyl-butyric acid Formula: C26H23F2N3O3S MolecularWeight: 495.540926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC3=NC4=C(S3)C=C(C=C4)F)F

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC3=NC4=C(S3)C=C(C=C4)F)F

InChI

InChI=1S/C26H23F2N3O3S/c1-26(2,3)22(24(33)34)31-23(32)15-6-4-14(5-7-15)16-8-10-19(18(28)12-16)29-25-30-20-11-9-17(27)13-21(20)35-25/h4-13,22H,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t22-/m1/s1