[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-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 [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-7-22-18(24)14(2)27-20(26)17(12-13-28-6)23-19(25)15-8-10-16(11-9-15)21(3,4)5/h8-11,14,17H,7,12-13H2,1-6H3,(H,22,24)(H,23,25)/t14-,17-/m0/s1