[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CNC(=O)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H26N2O6S/c1-13(2)11-19-16(21)12-26-18(23)15(9-10-27(3,24)25)20-17(22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1