[(2S)-2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(3R)-3-acetamido-1-oxo-3-phenylpropyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[(3R)-3-acetamido-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CC(=O)N[C@H](C[NH+](C)C)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-16(25)22-19(17-10-6-4-7-11-17)14-21(26)23-20(15-24(2)3)18-12-8-5-9-13-18/h4-13,19-20H,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1/t19-,20-/m1/s1