[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-7-17(8-2)23-18(24)13-27-20(26)14(3)22-19(25)15-9-11-16(12-10-15)21(4,5)6/h9-12,14,17H,7-8,13H2,1-6H3,(H,22,25)(H,23,24)/t14-/m0/s1