[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(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)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-5-11-22-19(27)23-16(24)13-28-17(25)10-12-21-18(26)14-6-8-15(9-7-14)20(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,21,26)(H2,22,23,24,27)