3-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-methylsulfonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-methylsulfonyl-amino]propanoic acid Openeye Name: 3-[(3-tert-butoxycarbonylphenyl)sulfonyl-methylsulfonyl-amino]propanoic acid CAS Name: 3-[[3-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]sulfonyl-methylsulfonylamino]propanoic acid IUPAC Name: 3-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-methylsulfonylamino]propanoic acid Traditional Name: 3-[(3-tert-butoxycarbonylphenyl)sulfonyl-mesyl-amino]propionic acid Formula: C15H21NO8S2 MolecularWeight: 407.45914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C15H21NO8S2/c1-15(2,3)24-14(19)11-6-5-7-12(10-11)26(22,23)16(25(4,20)21)9-8-13(17)18/h5-7,10H,8-9H2,1-4H3,(H,17,18)