2-[(5S)-5-azanyl-6-[4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonylpiperazin-1-yl]-6-oxidanylidene-hexyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[(5S)-5-azanyl-6-[4-[1-[[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]carbonylpiperazin-1-yl]-6-oxidanylidene-hexyl]guanidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[(5S)-5-amino-6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxo-hexyl]guanidine; 2,2,2-trifluoroacetic acid CAS Name: 2-[(5S)-5-amino-6-[4-[[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonylamino]cyclopentyl]-oxomethyl]-1-piperazinyl]-6-oxohexyl]guanidine; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[(5S)-5-amino-6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxohexyl]guanidine; 2,2,2-trifluoroacetic acid Traditional Name: 2-[(5S)-5-amino-6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazino]-6-keto-hexyl]guanidine; 2,2,2-trifluoroacetic acid Formula: C37H47Cl2F3N8O7S MolecularWeight: 875.78469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)C(CCCCN=C(N)N)N)Cl)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCCCN=C(N)N)N)Cl)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C35H46Cl2N8O5S.C2HF3O2/c1-22-20-23(2)42-31-24(22)8-7-10-28(31)50-21-25-26(36)11-12-29(30(25)37)51(48,49)43-35(13-4-5-14-35)33(47)45-18-16-44(17-19-45)32(46)27(38)9-3-6-15-41-34(39)40;3-2(4,5)1(6)7/h7-8,10-12,20,27,43H,3-6,9,13-19,21,38H2,1-2H3,(H4,39,40,41);(H,6,7)/t27-;/m0./s1