[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O6/c1-14(2)12-18(25)23-16-8-6-15(7-9-16)17(24)13-28-19(26)10-11-22-20(27)29-21(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,22,27)(H,23,25)