2-[[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-phenylsulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-1-oxo-3-(phenylthio)propyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-phenylsulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-(phenylthio)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C15H23N3O2S/c1-12(19)17-14(15(20)16-9-10-18(2)3)11-21-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,16,20)(H,17,19)/p+1/t14-/m1/s1