2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pentanoic acid; 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pentanoic acid; 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid; 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid; 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid; 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2,5-diamino-2-(difluoromethyl)valeric acid; 2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C26H29F3N2O5S MolecularWeight: 538.57907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O.C(CC(C(F)F)(C(=O)O)N)CN

Isomeric SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O.C(CC(C(F)F)(C(=O)O)N)CN

InChI

InChI=1S/C20H17FO3S.C6H12F2N2O2/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23;7-4(8)6(10,5(11)12)2-1-3-9/h3-10H,11H2,1-2H3,(H,22,23);4H,1-3,9-10H2,(H,11,12)/b17-9-;