[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H28N2O4/c1-14(2)19(21(27)28-13-18(25)17-7-6-12-23-17)24-20(26)15-8-10-16(11-9-15)22(3,4)5/h6-12,14,19,23H,13H2,1-5H3,(H,24,26)/t19-/m0/s1