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

Systemtic Name: 3-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylazanyl-propan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1S)-2-anilino-1-benzyl-2-oxo-ethyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1S)-2-anilino-1-benzyl-2-keto-ethyl]amino]propane-1-sulfonic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=CC=C2)NCCCS(=O)(=O)O

InChI

InChI=1S/C18H22N2O4S/c21-18(20-16-10-5-2-6-11-16)17(14-15-8-3-1-4-9-15)19-12-7-13-25(22,23)24/h1-6,8-11,17,19H,7,12-14H2,(H,20,21)(H,22,23,24)/t17-/m0/s1