2-(4-aminocarbonylphenyl)sulfonyl-2-[pyrrolidin-2-ylcarbonyl-(4-thiomorpholin-4-ylcarbonyloxyphenyl)amino]propanoic acid

Systemtic Name: 2-(4-aminocarbonylphenyl)sulfonyl-2-[pyrrolidin-2-ylcarbonyl-(4-thiomorpholin-4-ylcarbonyloxyphenyl)amino]propanoic acid Openeye Name: 2-(4-carbamoylphenyl)sulfonyl-2-[N-(pyrrolidine-2-carbonyl)-4-(thiomorpholine-4-carbonyloxy)anilino]propanoic acid CAS Name: 2-(4-carbamoylphenyl)sulfonyl-2-[N-[oxo(2-pyrrolidinyl)methyl]-4-[oxo(thiomorpholin-4-yl)methoxy]anilino]propanoic acid IUPAC Name: 2-(4-carbamoylphenyl)sulfonyl-2-[N-(pyrrolidine-2-carbonyl)-4-(thiomorpholine-4-carbonyloxy)anilino]propanoic acid Traditional Name: 2-(4-carbamoylphenyl)sulfonyl-2-[N-prolyl-4-(thiomorpholine-4-carbonyloxy)anilino]propionic acid Formula: C26H30N4O8S2 MolecularWeight: 590.6684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(N(C1=CC=C(C=C1)OC(=O)N2CCSCC2)C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C(=O)O)(N(C1=CC=C(C=C1)OC(=O)N2CCSCC2)C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H30N4O8S2/c1-26(24(33)34,40(36,37)20-10-4-17(5-11-20)22(27)31)30(23(32)21-3-2-12-28-21)18-6-8-19(9-7-18)38-25(35)29-13-15-39-16-14-29/h4-11,21,28H,2-3,12-16H2,1H3,(H2,27,31)(H,33,34)