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

Systemtic Name: (2S)-2-[[2-chloranyl-4-[4-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-chloro-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[2-chloro-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-chloro-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-chloro-4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]amino]-3-methyl-butyric acid Formula: C25H21ClFN3O3S MolecularWeight: 497.968943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFN3O3S/c1-13(2)22(24(32)33)30-23(31)18-9-5-15(11-19(18)26)14-3-7-17(8-4-14)28-25-29-20-10-6-16(27)12-21(20)34-25/h3-13,22H,1-2H3,(H,28,29)(H,30,31)(H,32,33)/t22-/m0/s1