diethyl-[(1S)-1-phenyl-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[3-(thiophene-2-carbonylamino)propanoylamino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[3-(thiophene-2-carbonylamino)propanoylamino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[3-(2-thenoylamino)propanoylamino]ethyl]ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CCNC(=O)C1=CC=CS1)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)C1=CC=CS1)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O2S/c1-3-23(4-2)17(16-9-6-5-7-10-16)15-22-19(24)12-13-21-20(25)18-11-8-14-26-18/h5-11,14,17H,3-4,12-13,15H2,1-2H3,(H,21,25)(H,22,24)/p+1/t17-/m1/s1