diethyl-[(2S)-1-phenyl-3-[3-(phenylcarbamoylamino)propanoylamino]propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[3-(phenylcarbamoylamino)propanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[3-(phenylcarbamoylamino)propanoylamino]ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[3-[[anilino(oxo)methyl]amino]-1-oxopropyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: diethyl-[(2S)-1-phenyl-3-[3-(phenylcarbamoylamino)propanoylamino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[3-(phenylcarbamoylamino)propanoylamino]ethyl]-diethyl-ammonium Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H32N4O2/c1-3-27(4-2)21(17-19-11-7-5-8-12-19)18-25-22(28)15-16-24-23(29)26-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3,(H,25,28)(H2,24,26,29)/p+1/t21-/m0/s1