2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-yl-3-oxidanylidene-propyl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-yl-3-oxidanylidene-propyl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[2-(tert-butoxycarbonylamino)-3-morpholino-3-oxo-propyl]sulfonyl-propanoic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-morpholinyl)-3-oxopropyl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-yl-3-oxopropyl]sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[2-(tert-butoxycarbonylamino)-3-keto-3-morpholino-propyl]sulfonyl-propionic acid Formula: C22H32N2O8S MolecularWeight: 484.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O)C(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O)C(=O)N2CCOCC2

InChI

InChI=1S/C22H32N2O8S/c1-22(2,3)32-21(28)23-18(19(25)24-9-11-31-12-10-24)15-33(29,30)14-17(20(26)27)13-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,23,28)(H,26,27)