(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(oxidanylcarbamoyl)pentanoyl]-N-(2-methylpropyl)piperazine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(oxidanylcarbamoyl)pentanoyl]-N-(2-methylpropyl)piperazine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-isobutyl-piperazine-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-[(hydroxyamino)-oxomethyl]-1-oxopentyl]-N-(2-methylpropyl)-2-piperazinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-(2-methylpropyl)piperazine-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-isobutyl-piperazine-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C23H32ClF3N4O6 MolecularWeight: 552.97159

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)Cl)C(=O)N2CCNCC2C(=O)NCC(C)C)C(=O)NO.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC=C(C=C1)Cl)C(=O)N2CCNC[C@H]2C(=O)NCC(C)C)C(=O)NO.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H31ClN4O4.C2HF3O2/c1-4-16(19(27)25-30)18(14-5-7-15(22)8-6-14)21(29)26-10-9-23-12-17(26)20(28)24-11-13(2)3;3-2(4,5)1(6)7/h5-8,13,16-18,23,30H,4,9-12H2,1-3H3,(H,24,28)(H,25,27);(H,6,7)/t16-,17-,18+;/m0./s1