(2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]amino]propionic acid Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H23N3O6S/c1-11(17(23)24)18-16(22)13-7-9-20(10-8-13)27(25,26)15-5-3-14(4-6-15)19-12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)/t11-/m0/s1