(4S)-3-[(2S)-2-azanyl-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (4S)-3-[(2S)-2-azanyl-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (4S)-3-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: (4S)-3-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]-1-oxopropyl]-4-thiazolidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: (4S)-3-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-1,3-thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: (4S)-3-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]thiazolidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C23H20F3N5O6S MolecularWeight: 551.49501

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])N)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@@H](N(CS1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])N)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H19N5O4S.C2HF3O2/c22-9-15-11-31-12-25(15)21(27)19(23)7-13-10-24-20-6-5-17(8-18(13)20)30-16-3-1-14(2-4-16)26(28)29;3-2(4,5)1(6)7/h1-6,8,10,15,19,24H,7,11-12,23H2;(H,6,7)/t15-,19-;/m0./s1