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

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(4-phenoxyphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-1-oxo-3-[(4-phenoxyphenyl)thio]propyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-phenoxyphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[(4-phenoxyphenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(CSC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-4-26(5-2)16-15-24-23(28)22(25-18(3)27)17-30-21-13-11-20(12-14-21)29-19-9-7-6-8-10-19/h6-14,22H,4-5,15-17H2,1-3H3,(H,24,28)(H,25,27)/p+1/t22-/m0/s1