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

Systemtic Name: 2-[[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-3-[(3-nitrophenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[(3-nitrophenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-4-20(5-2)10-9-18-17(23)16(19-13(3)22)12-26-15-8-6-7-14(11-15)21(24)25/h6-8,11,16H,4-5,9-10,12H2,1-3H3,(H,18,23)(H,19,22)/p+1/t16-/m0/s1