2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-butylphenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-butylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(4-butylphenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C21H36N3O2S+ MolecularWeight: 394.59444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCC[NH+](CC)CC)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)NCC[NH+](CC)CC)NC(=O)C

InChI

InChI=1S/C21H35N3O2S/c1-5-8-9-18-10-12-19(13-11-18)27-16-20(23-17(4)25)21(26)22-14-15-24(6-2)7-3/h10-13,20H,5-9,14-16H2,1-4H3,(H,22,26)(H,23,25)/p+1/t20-/m1/s1