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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-6-11-21-19(27)23-16(24)12-28-18(26)13(2)22-17(25)14-7-9-15(10-8-14)20(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,22,25)(H2,21,23,24,27)/t13-/m0/s1