(2S)-2-azanyl-6-oxidanylidene-6-[[(2R)-1-oxidanylidene-3-sulfanyl-1-[[(2S)-4,4,4-tris(fluoranyl)-1-oxidanyl-1-oxidanylidene-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-oxidanylidene-6-[[(2R)-1-oxidanylidene-3-sulfanyl-1-[[(2S)-4,4,4-tris(fluoranyl)-1-oxidanyl-1-oxidanylidene-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]hexanoic acid Openeye Name: (2S)-2-amino-6-[[(1R)-2-[[(1S)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[(2R)-3-mercapto-1-oxo-1-[[(2S)-4,4,4-trifluoro-1-hydroxy-1-oxo-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-oxo-6-[[(2R)-1-oxo-3-sulfanyl-1-[[(2S)-4,4,4-trifluoro-1-hydroxy-1-oxo-3-(trifluoromethyl)butan-2-yl]amino]propan-2-yl]amino]hexanoic acid Traditional Name: (2S)-2-amino-6-[[(1R)-2-[[(1S)-1-carboxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid Formula: C14H19F6N3O6S MolecularWeight: 471.372579

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NC(C(C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1