3-acetamido-2-[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-acetamido-2-[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-acetamido-2-[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-acetamido-2-[[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)-1-oxoethyl]-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-acetamido-2-[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-acetamido-2-[[(3S)-3-ethyl-1-[[(2S)-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]prolyl]amino]propionic acid; 2,2,2-trifluoroacetic acid Formula: C24H35F3N6O7 MolecularWeight: 576.56591

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1C(=O)NC(CNC(=O)C)C(=O)O)CC2CCCN2C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCN(C1C(=O)NC(CNC(=O)C)C(=O)O)C[C@@H]2CCCN2C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H34N6O5.C2HF3O2/c1-3-15-6-8-27(20(15)21(31)26-18(22(32)33)11-24-14(2)29)12-17-5-4-7-28(17)19(30)9-16-10-23-13-25-16;3-2(4,5)1(6)7/h10,13,15,17-18,20H,3-9,11-12H2,1-2H3,(H,23,25)(H,24,29)(H,26,31)(H,32,33);(H,6,7)/t15-,17-,18?,20?;/m0./s1