methyl (2R)-2-[[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]propanoate CAS Name: (2R)-2-[[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-(methylthio)-2-(tosylamino)butanoyl]amino]propionic acid methyl ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)C(=O)OC

InChI

InChI=1S/C16H24N2O5S2/c1-11-5-7-13(8-6-11)25(21,22)18-14(9-10-24-4)15(19)17-12(2)16(20)23-3/h5-8,12,14,18H,9-10H2,1-4H3,(H,17,19)/t12-,14-/m1/s1