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

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[(4-benzoxyphenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C24H33N3O3S/c1-4-27(5-2)16-15-25-24(29)23(26-19(3)28)18-31-22-13-11-21(12-14-22)30-17-20-9-7-6-8-10-20/h6-14,23H,4-5,15-18H2,1-3H3,(H,25,29)(H,26,28)/p+1/t23-/m0/s1