2-[(4-tert-butylphenyl)sulfonylamino]-3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-[[5-(3-methoxy-3-oxidanylidene-propyl)thiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-[[5-(3-methoxy-3-oxo-propyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-[[[5-(3-methoxy-3-oxopropyl)-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-[[5-(3-methoxy-3-oxopropyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-[[5-(3-keto-3-methoxy-propyl)thiophene-2-carbonyl]amino]propionic acid Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)CCC(=O)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)CCC(=O)OC)C(=O)O

InChI

InChI=1S/C22H28N2O7S2/c1-22(2,3)14-5-9-16(10-6-14)33(29,30)24-17(21(27)28)13-23-20(26)18-11-7-15(32-18)8-12-19(25)31-4/h5-7,9-11,17,24H,8,12-13H2,1-4H3,(H,23,26)(H,27,28)