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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-12(2)20-19(26)22-16(23)13(3)27-18(25)15(10-11-28-4)21-17(24)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)(H2,20,22,23,26)/t13-,15-/m0/s1