3-azanyl-4-oxidanylidene-4-[[2-oxidanylidene-2-(2,2,4,4-tetramethylthietan-3-yl)oxy-ethyl]-phenyl-amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[[2-oxidanylidene-2-(2,2,4,4-tetramethylthietan-3-yl)oxy-ethyl]-phenyl-amino]butanoic acid Openeye Name: 3-amino-4-oxo-4-(N-[2-oxo-2-(2,2,4,4-tetramethylthietan-3-yl)oxy-ethyl]anilino)butanoic acid CAS Name: 3-amino-4-oxo-4-(N-[2-oxo-2-[(2,2,4,4-tetramethyl-3-thietanyl)oxy]ethyl]anilino)butanoic acid IUPAC Name: 3-amino-4-oxo-4-(N-[2-oxo-2-(2,2,4,4-tetramethylthietan-3-yl)oxyethyl]anilino)butanoic acid Traditional Name: 3-amino-4-keto-4-(N-[2-keto-2-(2,2,4,4-tetramethylthietan-3-yl)oxy-ethyl]anilino)butyric acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(S1)(C)C)OC(=O)CN(C2=CC=CC=C2)C(=O)C(CC(=O)O)N)C

Isomeric SMILES

CC1(C(C(S1)(C)C)OC(=O)CN(C2=CC=CC=C2)C(=O)C(CC(=O)O)N)C

InChI

InChI=1S/C19H26N2O5S/c1-18(2)17(19(3,4)27-18)26-15(24)11-21(12-8-6-5-7-9-12)16(25)13(20)10-14(22)23/h5-9,13,17H,10-11,20H2,1-4H3,(H,22,23)