2-[[(2R)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-1-oxo-3-[(4-propan-2-ylphenyl)thio]propyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-(p-cumenylthio)propanoyl]amino]ethyl-diethyl-ammonium Formula: C20H34N3O2S+ MolecularWeight: 380.56786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2S/c1-6-23(7-2)13-12-21-20(25)19(22-16(5)24)14-26-18-10-8-17(9-11-18)15(3)4/h8-11,15,19H,6-7,12-14H2,1-5H3,(H,21,25)(H,22,24)/p+1/t19-/m0/s1