2-[[(2S)-4-methylsulfonyloxy-1-phenylmethoxycarbonyl-pyrrolidin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-methylsulfonyloxy-1-phenylmethoxycarbonyl-pyrrolidin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(2S)-1-benzyloxycarbonyl-4-methylsulfonyloxy-pyrrolidine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[(2S)-4-methylsulfonyloxy-1-phenylmethoxycarbonyl-2-pyrrolidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2S)-4-methylsulfonyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[(2S)-1-carbobenzoxy-4-methylsulfonyloxy-prolyl]amino]acetic acid Formula: C16H20N2O8S MolecularWeight: 400.4036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

CS(=O)(=O)OC1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C16H20N2O8S/c1-27(23,24)26-12-7-13(15(21)17-8-14(19)20)18(9-12)16(22)25-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,21)(H,19,20)/t12?,13-/m0/s1