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

Systemtic Name: 3-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]propane-1-sulfonic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NCCCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c13-12(15)11(9-10-5-2-1-3-6-10)14-7-4-8-19(16,17)18/h1-3,5-6,11,14H,4,7-9H2,(H2,13,15)(H,16,17,18)/t11-/m0/s1