[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4S/c1-16(20(25)23-18-12-8-3-4-9-13-18)28-22(27)19(14-15-29-2)24-21(26)17-10-6-5-7-11-17/h5-7,10-11,16,18-19H,3-4,8-9,12-15H2,1-2H3,(H,23,25)(H,24,26)/t16-,19+/m1/s1