3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]amino]propane-1-sulfonic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NCCCS(=O)(=O)O

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-14-13(16)12(10-11-6-3-2-4-7-11)15-8-5-9-20(17,18)19/h2-4,6-7,12,15H,5,8-10H2,1H3,(H,14,16)(H,17,18,19)/t12-/m0/s1