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

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-[5-(cyclohexylmethoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-1-[(2S)-2-amino-3-[5-(cyclohexylmethoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: (2S)-1-[(2S)-2-amino-3-[5-(cyclohexylmethoxy)-1H-indol-3-yl]-1-oxopropyl]-2-pyrrolidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-1-[(2S)-2-amino-3-[5-(cyclohexylmethoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-1-[(2S)-2-amino-3-[5-(cyclohexylmethoxy)-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C25H31F3N4O4 MolecularWeight: 508.53325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC3=C(C=C2)NC=C3CC(C(=O)N4CCCC4C#N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCC(CC1)COC2=CC3=C(C=C2)NC=C3C[C@@H](C(=O)N4CCC[C@H]4C#N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H30N4O2.C2HF3O2/c24-13-18-7-4-10-27(18)23(28)21(25)11-17-14-26-22-9-8-19(12-20(17)22)29-15-16-5-2-1-3-6-16;3-2(4,5)1(6)7/h8-9,12,14,16,18,21,26H,1-7,10-11,15,25H2;(H,6,7)/t18-,21-;/m0./s1