[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-16(17-9-5-3-6-10-17)23-20(25)15-28-22(27)19(13-14-29-2)24-21(26)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,25)(H,24,26)/t16-,19+/m1/s1