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

Systemtic Name: tert-butyl (2S)-4-azanyl-2-[[3-methyl-2-(phenylmethoxycarbamoyl)butanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (2S)-4-amino-2-[[2-(benzyloxycarbamoyl)-3-methyl-butanoyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[3-methyl-1-oxo-2-[oxo-(phenylmethoxyamino)methyl]butyl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-amino-2-[[3-methyl-2-(phenylmethoxycarbamoyl)butanoyl]amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[[2-(benzoxycarbamoyl)-3-methyl-butanoyl]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)C(C(=O)NC(CC(=O)N)C(=O)OC(C)(C)C)C(=O)NOCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6/c1-13(2)17(19(27)24-29-12-14-9-7-6-8-10-14)18(26)23-15(11-16(22)25)20(28)30-21(3,4)5/h6-10,13,15,17H,11-12H2,1-5H3,(H2,22,25)(H,23,26)(H,24,27)/t15-,17?/m0/s1