[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-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-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-13(2)18(20(26)27-12-17(24)22-14(3)4)23-19(25)15-8-10-16(11-9-15)21(5,6)7/h8-11,13-14,18H,12H2,1-7H3,(H,22,24)(H,23,25)/t18-/m0/s1