methyl (2S)-5-(carbamothioylamino)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-5-(carbamothioylamino)-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate Openeye Name: methyl (2S)-5-(carbamothioylamino)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate CAS Name: (2S)-5-(carbamothioylamino)-4-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(carbamothioylamino)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate Traditional Name: (2S)-4-keto-5-thioureido-2-[(2,2,2-trifluoroacetyl)amino]valeric acid methyl ester Formula: C9H12F3N3O4S MolecularWeight: 315.26949

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)CNC(=S)N)NC(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@H](CC(=O)CNC(=S)N)NC(=O)C(F)(F)F

InChI

InChI=1S/C9H12F3N3O4S/c1-19-6(17)5(15-7(18)9(10,11)12)2-4(16)3-14-8(13)20/h5H,2-3H2,1H3,(H,15,18)(H3,13,14,20)/t5-/m0/s1