[(1S)-2-[[(3S)-3-acetamido-3-thiophen-2-yl-propanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(3S)-3-acetamido-3-thiophen-2-yl-propanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(3S)-3-acetamido-3-(2-thienyl)propanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3S)-3-acetamido-1-oxo-3-thiophen-2-ylpropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(3S)-3-acetamido-3-thiophen-2-ylpropanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(3S)-3-acetamido-3-(2-thienyl)propanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C2=CC=CS2

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)NC[C@H](C1=CC=CC=C1)[NH+](C)C)C2=CC=CS2

InChI

InChI=1S/C19H25N3O2S/c1-14(23)21-16(18-10-7-11-25-18)12-19(24)20-13-17(22(2)3)15-8-5-4-6-9-15/h4-11,16-17H,12-13H2,1-3H3,(H,20,24)(H,21,23)/p+1/t16-,17+/m0/s1