[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-13(2)11-22-20(28)24-17(25)12-29-19(27)14(3)23-18(26)15-7-9-16(10-8-15)21(4,5)6/h7-10,13-14H,11-12H2,1-6H3,(H,23,26)(H2,22,24,25,28)/t14-/m0/s1