[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-14(2)22-18(24)13-27-20(26)17(11-12-28-6)23-19(25)15-7-9-16(10-8-15)21(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1