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

Systemtic Name: 2-methyl-2-[[4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)butanoyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-mesylphenyl)butanoyl]amino]-2-methyl-propionic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C23H28N2O8S/c1-23(2,21(28)29)25-20(27)19(26)18(13-15-9-11-17(12-10-15)34(3,31)32)24-22(30)33-14-16-7-5-4-6-8-16/h4-12,18-19,26H,13-14H2,1-3H3,(H,24,30)(H,25,27)(H,28,29)