2-[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)ethanoyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)-1-oxoethyl]-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[(3S)-3-ethyl-1-[[(2S,3S)-3-ethyl-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidin-2-yl]methyl]prolyl]amino]-4-(methylthio)butyric acid; 2,2,2-trifluoroacetic acid Formula: C26H40F3N5O6S MolecularWeight: 607.68591

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1CN2CCC(C2C(=O)NC(CCSC)C(=O)O)CC)C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCN([C@@H]1CN2CC[C@@H](C2C(=O)NC(CCSC)C(=O)O)CC)C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H39N5O4S.C2HF3O2/c1-4-16-7-10-29(21(30)12-18-13-25-15-26-18)20(16)14-28-9-6-17(5-2)22(28)23(31)27-19(24(32)33)8-11-34-3;3-2(4,5)1(6)7/h13,15-17,19-20,22H,4-12,14H2,1-3H3,(H,25,26)(H,27,31)(H,32,33);(H,6,7)/t16-,17-,19?,20+,22?;/m0./s1