[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)NCC=C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC(=O)NCC=C)NC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C22H31N3O5/c1-7-12-23-21(29)24-17(26)13-30-20(28)18(14(2)3)25-19(27)15-8-10-16(11-9-15)22(4,5)6/h7-11,14,18H,1,12-13H2,2-6H3,(H,25,27)(H2,23,24,26,29)