[(2S,3S)-4-azanyl-2-methylsulfonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] 2-chloranylethanoate

Systemtic Name: [(2S,3S)-4-azanyl-2-methylsulfonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] 2-chloranylethanoate Openeye Name: [(2S,3S)-4-amino-3-(benzyloxycarbonylamino)-2-methylsulfonyloxy-4-oxo-butyl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(2S,3S)-4-amino-2-methylsulfonyloxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: [(2S,3S)-4-amino-2-methylsulfonyloxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(2S,3S)-4-amino-3-(benzyloxycarbonylamino)-4-keto-2-methylsulfonyloxy-butyl] ester Formula: C15H19ClN2O8S MolecularWeight: 422.83796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(COC(=O)CCl)C(C(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)O[C@H](COC(=O)CCl)[C@@H](C(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H19ClN2O8S/c1-27(22,23)26-11(9-24-12(19)7-16)13(14(17)20)18-15(21)25-8-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H2,17,20)(H,18,21)/t11-,13+/m1/s1