(2S)-4-azanyl-2-[[3-methyl-2-(phenylmethoxycarbamoyl)butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[3-methyl-2-(phenylmethoxycarbamoyl)butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-(benzyloxycarbamoyl)-3-methyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[3-methyl-1-oxo-2-[oxo-(phenylmethoxyamino)methyl]butyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[3-methyl-2-(phenylmethoxycarbamoyl)butanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[2-(benzoxycarbamoyl)-3-methyl-butanoyl]amino]-4-keto-butyric acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-10(2)14(15(22)19-12(17(24)25)8-13(18)21)16(23)20-26-9-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t12-,14?/m0/s1