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

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-13(16(24)22-19(27)23-20(2,3)4)28-18(26)15(11-12-29-5)21-17(25)14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,21,25)(H2,22,23,24,27)/t13-,15+/m1/s1