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

Systemtic Name: 2-[[2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-2-methylsulfanyl-ethanoic acid Openeye Name: 2-[[2-benzyl-3-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonyl-propanoyl]amino]-2-methylsulfanyl-acetic acid CAS Name: 2-[[2-[[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]-2-(methylthio)acetic acid IUPAC Name: 2-[[2-benzyl-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoyl]amino]-2-methylsulfanylacetic acid Traditional Name: 2-[[2-benzyl-3-(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonyl-propanoyl]amino]-2-(methylthio)acetic acid Formula: C21H30N2O7S2 MolecularWeight: 486.6021

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7S2/c1-21(2,20(27)23-9-11-30-12-10-23)32(28,29)14-16(13-15-7-5-4-6-8-15)17(24)22-18(31-3)19(25)26/h4-8,16,18H,9-14H2,1-3H3,(H,22,24)(H,25,26)