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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-14(2)12-23-20(28)24-17(25)13-29-18(26)10-11-22-19(27)15-6-8-16(9-7-15)21(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,22,27)(H2,23,24,25,28)