[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C19H28N2O5S/c1-19(2,3)21-16(22)12-26-18(24)14(10-11-27-5)20-17(23)13-8-6-7-9-15(13)25-4/h6-9,14H,10-12H2,1-5H3,(H,20,23)(H,21,22)/t14-/m0/s1