[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-12(2)22-20(28)24-17(25)14(4)29-19(27)13(3)23-18(26)15-8-10-16(11-9-15)21(5,6)7/h8-14H,1-7H3,(H,23,26)(H2,22,24,25,28)/t13-,14-/m0/s1