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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(3-nitrophenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(3-nitrophenyl)thio]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C15H23N4O4S+ MolecularWeight: 355.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S/c1-11(20)17-14(15(21)16-7-8-18(2)3)10-24-13-6-4-5-12(9-13)19(22)23/h4-6,9,14H,7-8,10H2,1-3H3,(H,16,21)(H,17,20)/p+1/t14-/m1/s1