[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N3O6/c1-7-29-15-10-8-14(9-11-15)18(26)23-17(13(2)3)19(27)30-12-16(25)22-20(28)24-21(4,5)6/h8-11,13,17H,7,12H2,1-6H3,(H,23,26)(H2,22,24,25,28)/t17-/m0/s1