(3S)-3-acetyloxy-4-[[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetyloxy-4-[[(2R)-4-methyl-1-oxidanyl-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetoxy-4-[[(1R)-1-(hydroxymethyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-acetyloxy-4-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetyloxy-4-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-acetoxy-4-keto-4-[[(1R)-3-methyl-1-methylol-butyl]amino]butyric acid Formula: C12H21NO6 MolecularWeight: 275.29824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)C(CC(=O)O)OC(=O)C

Isomeric SMILES

CC(C)C[C@H](CO)NC(=O)[C@H](CC(=O)O)OC(=O)C

InChI

InChI=1S/C12H21NO6/c1-7(2)4-9(6-14)13-12(18)10(5-11(16)17)19-8(3)15/h7,9-10,14H,4-6H2,1-3H3,(H,13,18)(H,16,17)/t9-,10+/m1/s1