[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)16-9-7-15(8-10-16)20(26)24-18(11-13-29-4)21(27)28-14-19(25)17-6-5-12-23-17/h5-10,12,18,23H,11,13-14H2,1-4H3,(H,24,26)/t18-/m1/s1