2-[[2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]propanedioic acid

Systemtic Name: 2-[[2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]propanedioic acid Openeye Name: 2-[[2-benzyl-3-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonyl-propanoyl]amino]propanedioic acid CAS Name: 2-[[2-[[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]propanedioic acid IUPAC Name: 2-[[2-benzyl-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoyl]amino]propanedioic acid Traditional Name: 2-[[2-benzyl-3-(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonyl-propanoyl]amino]malonic acid Formula: C21H28N2O9S MolecularWeight: 484.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(C(=O)O)C(=O)O

InChI

InChI=1S/C21H28N2O9S/c1-21(2,20(29)23-8-10-32-11-9-23)33(30,31)13-15(12-14-6-4-3-5-7-14)17(24)22-16(18(25)26)19(27)28/h3-7,15-16H,8-13H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)