[(1R)-2-[[(2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[(2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[(2S)-2-(2-furoylamino)-4-(methylthio)butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C(CCSC)NC(=O)C1=CC=CO1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)[C@H](CCSC)NC(=O)C1=CC=CO1)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O3S/c1-23(2)17(15-8-5-4-6-9-15)14-21-19(24)16(11-13-27-3)22-20(25)18-10-7-12-26-18/h4-10,12,16-17H,11,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1/t16-,17-/m0/s1