(3S)-4-oxidanylidene-3-[[(2S)-2-[1-oxidanylidene-7-(trifluoromethyl)isoquinolin-2-yl]butanoyl]amino]-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: (3S)-4-oxidanylidene-3-[[(2S)-2-[1-oxidanylidene-7-(trifluoromethyl)isoquinolin-2-yl]butanoyl]amino]-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: (3S)-4-oxo-3-[[(2S)-2-[1-oxo-7-(trifluoromethyl)-2-isoquinolyl]butanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: (3S)-4-oxo-3-[[(2S)-1-oxo-2-[1-oxo-7-(trifluoromethyl)-2-isoquinolinyl]butyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: (3S)-4-oxo-3-[[(2S)-2-[1-oxo-7-(trifluoromethyl)isoquinolin-2-yl]butanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: (3S)-4-keto-3-[[(2S)-2-[1-keto-7-(trifluoromethyl)-2-isoquinolyl]butanoyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C25H19F7N2O6 MolecularWeight: 576.416982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC3=C(C2=O)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC3=C(C2=O)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H19F7N2O6/c1-2-17(34-6-5-11-3-4-12(25(30,31)32)7-13(11)24(34)39)23(38)33-16(9-19(36)37)18(35)10-40-22-20(28)14(26)8-15(27)21(22)29/h3-8,16-17H,2,9-10H2,1H3,(H,33,38)(H,36,37)/t16-,17-/m0/s1