(2S)-2-[[3-chloranyl-4-[[(2R)-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]phenyl]carbonyl-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[3-chloranyl-4-[[(2R)-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]phenyl]carbonyl-methyl-amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl]amino]benzoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]-oxomethyl]-methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzoyl]-methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl]amino]benzoyl]-methyl-amino]-3-methyl-butyric acid Formula: C17H20ClF3N2O5 MolecularWeight: 424.79931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(C)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)(C(F)(F)F)O)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(C)C(=O)C1=CC(=C(C=C1)NC(=O)[C@](C)(C(F)(F)F)O)Cl

InChI

InChI=1S/C17H20ClF3N2O5/c1-8(2)12(14(25)26)23(4)13(24)9-5-6-11(10(18)7-9)22-15(27)16(3,28)17(19,20)21/h5-8,12,28H,1-4H3,(H,22,27)(H,25,26)/t12-,16+/m0/s1