(2S)-2-[[(2S)-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: (2S)-2-[[(2S)-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: (2S)-2-[[(2S)-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: (2S)-2-[[[(2S)-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: (2S)-2-[[(2S)-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: (2S)-2-[[(2S)-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: C24H36F3N5O6S MolecularWeight: 579.63275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1CN2CCCC2C(=O)NC(CCSC)C(=O)O)C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCN([C@@H]1CN2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)O)C(=O)CC3=CN=CN3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H35N5O4S.C2HF3O2/c1-3-15-6-9-27(20(28)11-16-12-23-14-24-16)19(15)13-26-8-4-5-18(26)21(29)25-17(22(30)31)7-10-32-2;3-2(4,5)1(6)7/h12,14-15,17-19H,3-11,13H2,1-2H3,(H,23,24)(H,25,29)(H,30,31);(H,6,7)/t15-,17-,18-,19+;/m0./s1