[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium; 4-methylbenzenesulfonate Openeye Name: [(1S)-1-benzyl-2-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-1-[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S)-1-benzyl-2-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]amino]-2-keto-ethyl]ammonium tosylate Formula: C22H30N2O6S2 MolecularWeight: 482.6134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C15H22N2O3S.C7H8O3S/c1-20-15(19)13(8-9-21-2)17-14(18)12(16)10-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,12-13H,8-10,16H2,1-2H3,(H,17,18);2-5H,1H3,(H,8,9,10)/t12-,13-;/m0./s1