N-[[(3R)-3-azanyl-4-[(2S)-2-cyanopyrrolidin-1-yl]-2-methyl-4-oxidanylidene-butan-2-yl]sulfanylmethyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[[(3R)-3-azanyl-4-[(2S)-2-cyanopyrrolidin-1-yl]-2-methyl-4-oxidanylidene-butan-2-yl]sulfanylmethyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[[(2R)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-1,1-dimethyl-3-oxo-propyl]sulfanylmethyl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[[[(3R)-3-amino-4-[(2S)-2-cyano-1-pyrrolidinyl]-2-methyl-4-oxobutan-2-yl]thio]methyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[[(3R)-3-amino-4-[(2S)-2-cyanopyrrolidin-1-yl]-2-methyl-4-oxobutan-2-yl]sulfanylmethyl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[[[(2R)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-1,1-dimethyl-propyl]thio]methyl]acetamide; 2,2,2-trifluoroacetic acid Formula: C15H23F3N4O4S MolecularWeight: 412.42773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSC(C)(C)C(C(=O)N1CCCC1C#N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)NCSC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C#N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H22N4O2S.C2HF3O2/c1-9(18)16-8-20-13(2,3)11(15)12(19)17-6-4-5-10(17)7-14;3-2(4,5)1(6)7/h10-11H,4-6,8,15H2,1-3H3,(H,16,18);(H,6,7)/t10-,11+;/m0./s1