tert-butyl (2S)-4-azanyl-2-[3-methylbutanoyl(phenylmethoxycarbamoyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2S)-4-azanyl-2-[3-methylbutanoyl(phenylmethoxycarbamoyl)amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (2S)-4-amino-2-[benzyloxycarbamoyl(3-methylbutanoyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[(3-methyl-1-oxobutyl)-[oxo-(phenylmethoxyamino)methyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-amino-2-[3-methylbutanoyl(phenylmethoxycarbamoyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[benzoxycarbamoyl(isovaleryl)amino]-4-keto-butyric acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(C(CC(=O)N)C(=O)OC(C)(C)C)C(=O)NOCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)N([C@@H](CC(=O)N)C(=O)OC(C)(C)C)C(=O)NOCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-14(2)11-18(26)24(16(12-17(22)25)19(27)30-21(3,4)5)20(28)23-29-13-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H2,22,25)(H,23,28)/t16-/m0/s1