[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-anilino-2-oxo-ethyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[(2-anilino-2-oxoethyl)amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-anilino-2-oxoethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-anilino-2-keto-ethyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(=O)NC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC(=O)NC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H19N3O2S/c1-19-8-7-11(14)13(18)15-9-12(17)16-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,18)(H,16,17)/p+1/t11-/m0/s1