(2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]propionic acid Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H23N3O6S/c1-11(17(23)24)18-16(22)13-4-3-9-20(10-13)27(25,26)15-7-5-14(6-8-15)19-12(2)21/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)/t11-,13-/m0/s1