ethyl (2S)-3,3,3-tris(fluoranyl)-2-(pentanoylamino)-2-(1,3-thiazol-2-ylamino)propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-(pentanoylamino)-2-(1,3-thiazol-2-ylamino)propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-(pentanoylamino)-2-(thiazol-2-ylamino)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-(1-oxopentylamino)-2-(2-thiazolylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-(pentanoylamino)-2-(1,3-thiazol-2-ylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(thiazol-2-ylamino)-2-(valerylamino)propionic acid ethyl ester Formula: C13H18F3N3O3S MolecularWeight: 353.36053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC=CS1

Isomeric SMILES

CCCCC(=O)N[C@](C(=O)OCC)(C(F)(F)F)NC1=NC=CS1

InChI

InChI=1S/C13H18F3N3O3S/c1-3-5-6-9(20)18-12(13(14,15)16,10(21)22-4-2)19-11-17-7-8-23-11/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1