(2S)-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[(1-besylnipecotoyl)amino]propionic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O5S/c1-11(15(19)20)16-14(18)12-6-5-9-17(10-12)23(21,22)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,16,18)(H,19,20)/t11-,12?/m0/s1