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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-14(2)23-21(29)25-18(26)13-30-20(28)17(11-12-31-6)24-19(27)15-7-9-16(10-8-15)22(3,4)5/h7-10,14,17H,11-13H2,1-6H3,(H,24,27)(H2,23,25,26,29)