2-[2-[2-tert-butylsulfonylprop-2-enoxycarbonyl(phenyl)amino]propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-tert-butylsulfonylprop-2-enoxycarbonyl(phenyl)amino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[N-(2-tert-butylsulfonylallyloxycarbonyl)anilino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(N-[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]anilino)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[N-(2-tert-butylsulfonylprop-2-enoxycarbonyl)anilino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[N-(2-tert-butylsulfonylallyloxycarbonyl)anilino]propanoylamino]-3-phenyl-propionic acid Formula: C26H32N2O7S MolecularWeight: 516.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N(C2=CC=CC=C2)C(=O)OCC(=C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N(C2=CC=CC=C2)C(=O)OCC(=C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C26H32N2O7S/c1-18(36(33,34)26(3,4)5)17-35-25(32)28(21-14-10-7-11-15-21)19(2)23(29)27-22(24(30)31)16-20-12-8-6-9-13-20/h6-15,19,22H,1,16-17H2,2-5H3,(H,27,29)(H,30,31)