2-[[3-methyl-1-[(3-methylsulfanylphenyl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-butan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[3-methyl-1-[(3-methylsulfanylphenyl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-[(2-hydroxy-1-methyl-2-oxo-ethyl)-(3-methylsulfanylphenyl)carbamoyl]-2-methyl-propyl]amino]propanoic acid CAS Name: 2-[[1-[N-(1-hydroxy-1-oxopropan-2-yl)-3-(methylthio)anilino]-3-methyl-1-oxobutan-2-yl]amino]propanoic acid IUPAC Name: 2-[[1-(N-(1-hydroxy-1-oxopropan-2-yl)-3-methylsulfanylanilino)-3-methyl-1-oxobutan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[(2-hydroxy-2-keto-1-methyl-ethyl)-[3-(methylthio)phenyl]carbamoyl]-2-methyl-propyl]amino]propionic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1=CC(=CC=C1)SC)C(C)C(=O)O)NC(C)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)N(C1=CC(=CC=C1)SC)C(C)C(=O)O)NC(C)C(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-10(2)15(19-11(3)17(22)23)16(21)20(12(4)18(24)25)13-7-6-8-14(9-13)26-5/h6-12,15,19H,1-5H3,(H,22,23)(H,24,25)