methyl 3-(1H-imidazol-5-yl)-2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl-(3-phenylpropanoyl)amino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[(2-methyl-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfonylmethyl-(3-phenylpropanoyl)amino]propanoate Openeye Name: methyl 2-[(1,1-dimethyl-2-morpholino-2-oxo-ethyl)sulfonylmethyl-(3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[2-methyl-1-(4-morpholinyl)-1-oxopropan-2-yl]sulfonylmethyl-(1-oxo-3-phenylpropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylmethyl-(3-phenylpropanoyl)amino]propanoate Traditional Name: 2-[hydrocinnamoyl-[(2-keto-1,1-dimethyl-2-morpholino-ethyl)sulfonylmethyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C25H34N4O7S MolecularWeight: 534.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CN(C(CC2=CN=CN2)C(=O)OC)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CN(C(CC2=CN=CN2)C(=O)OC)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O7S/c1-25(2,24(32)28-11-13-36-14-12-28)37(33,34)18-29(22(30)10-9-19-7-5-4-6-8-19)21(23(31)35-3)15-20-16-26-17-27-20/h4-8,16-17,21H,9-15,18H2,1-3H3,(H,26,27)