2-[[3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]-2-methyl-propanoic acid

Systemtic Name: 2-[[3-azanyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanoyl]amino]-2-methyl-propanoic acid Openeye Name: 2-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxobutyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[3-amino-2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]-2-methyl-propionic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)S(=O)(=O)C)N)O

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)S(=O)(=O)C)N)O

InChI

InChI=1S/C15H22N2O6S/c1-15(2,14(20)21)17-13(19)12(18)11(16)8-9-4-6-10(7-5-9)24(3,22)23/h4-7,11-12,18H,8,16H2,1-3H3,(H,17,19)(H,20,21)