[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N3O6/c1-6-7-12-29-16-10-8-15(9-11-16)19(27)22-13-17(25)30-14(2)18(26)23-20(28)24-21(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,27)(H2,23,24,26,28)/t14-/m1/s1