2-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-1-oxo-3-(phenylthio)propyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-phenylsulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-(phenylthio)propanoyl]amino]ethyl-diethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(CSC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](CSC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C17H27N3O2S/c1-4-20(5-2)12-11-18-17(22)16(19-14(3)21)13-23-15-9-7-6-8-10-15/h6-10,16H,4-5,11-13H2,1-3H3,(H,18,22)(H,19,21)/p+1/t16-/m0/s1