3-[4-[[3-[bis(azanyl)methylideneamino]-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]-2-(3,3-dimethylbutanoylamino)propanoic acid

Systemtic Name: 3-[4-[[3-[bis(azanyl)methylideneamino]-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]-2-(3,3-dimethylbutanoylamino)propanoic acid Openeye Name: 2-(3,3-dimethylbutanoylamino)-3-[4-[[3-guanidino-5-(trifluoromethyl)benzoyl]amino]phenyl]propanoic acid CAS Name: 3-[4-[[[3-(diaminomethylideneamino)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]phenyl]-2-[(3,3-dimethyl-1-oxobutyl)amino]propanoic acid IUPAC Name: 3-[4-[[3-(diaminomethylideneamino)-5-(trifluoromethyl)benzoyl]amino]phenyl]-2-(3,3-dimethylbutanoylamino)propanoic acid Traditional Name: 2-(3,3-dimethylbutanoylamino)-3-[4-[[3-guanidino-5-(trifluoromethyl)benzoyl]amino]phenyl]propionic acid Formula: C24H28F3N5O4 MolecularWeight: 507.50543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)N=C(N)N)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)N=C(N)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C24H28F3N5O4/c1-23(2,3)12-19(33)32-18(21(35)36)8-13-4-6-16(7-5-13)30-20(34)14-9-15(24(25,26)27)11-17(10-14)31-22(28)29/h4-7,9-11,18H,8,12H2,1-3H3,(H,30,34)(H,32,33)(H,35,36)(H4,28,29,31)