3-methyl-2-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-[2-(phenylthio)ethylamino]ethyl]amino]-3-methyl-butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NCCSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NCCSC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O3S/c1-11(2)14(15(19)20)17-10-13(18)16-8-9-21-12-6-4-3-5-7-12/h3-7,11,14,17H,8-10H2,1-2H3,(H,16,18)(H,19,20)