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4-[4-[1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

4-[4-[1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name:4-[4-[1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
Openeye Name:4-[4-[1-[[3-(4-carbamimidoylanilino)-3-oxo-propanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-trifluoroacetic acid
CAS Name:4-[4-[1-[[3-(4-carbamimidoylanilino)-1,3-dioxopropyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-trifluoroacetic acid
IUPAC Name:4-[4-[1-[[3-(4-carbamimidoylanilino)-3-oxopropanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butanoic acid; 2,2,2-trifluoroacetic acid
Traditional Name:4-[4-[1-[[3-(4-amidinoanilino)-3-keto-propanoyl]amino]ethyl]-2-(trifluoromethyl)phenoxy]butyric acid; 2,2,2-trifluoroacetic acid
Formula: C25H26F6N4O7
MolecularWeight: 608.486959
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCCCC(=O)O)C(F)(F)F)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=N)N.C(=O)(C(F)(F)F)O


Isomeric SMILES

CC(C1=CC(=C(C=C1)OCCCC(=O)O)C(F)(F)F)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=N)N.C(=O)(C(F)(F)F)O


InChI

InChI=1S/C23H25F3N4O5.C2HF3O2/c1-13(29-19(31)12-20(32)30-16-7-4-14(5-8-16)22(27)28)15-6-9-18(17(11-15)23(24,25)26)35-10-2-3-21(33)34;3-2(4,5)1(6)7/h4-9,11,13H,2-3,10,12H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34);(H,6,7)


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