(2S)-2-[[(2S,4R)-4-acetyloxypyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,4R)-4-acetyloxypyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,4R)-4-acetoxypyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S,4R)-4-acetyloxy-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,4R)-4-acetyloxypyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,4R)-4-acetoxyprolyl]amino]-3-methyl-butyric acid Formula: C12H20N2O5 MolecularWeight: 272.2976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CC(CN1)OC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1)OC(=O)C

InChI

InChI=1S/C12H20N2O5/c1-6(2)10(12(17)18)14-11(16)9-4-8(5-13-9)19-7(3)15/h6,8-10,13H,4-5H2,1-3H3,(H,14,16)(H,17,18)/t8-,9+,10+/m1/s1