(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxy-amino]-3-methylsulfonyloxy-butanedioic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxy-amino]-3-methylsulfonyloxy-butanedioic acid Openeye Name: (2S)-2-[benzyloxy(tert-butoxycarbonyl)amino]-3-methylsulfonyloxy-butanedioic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxyamino]-3-methylsulfonyloxybutanedioic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxyamino]-3-methylsulfonyloxybutanedioic acid Traditional Name: (2S)-2-[benzoxy(tert-butoxycarbonyl)amino]-3-methylsulfonyloxy-succinic acid Formula: C17H23NO10S MolecularWeight: 433.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(C(C(=O)O)OS(=O)(=O)C)C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](C(C(=O)O)OS(=O)(=O)C)C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23NO10S/c1-17(2,3)27-16(23)18(26-10-11-8-6-5-7-9-11)12(14(19)20)13(15(21)22)28-29(4,24)25/h5-9,12-13H,10H2,1-4H3,(H,19,20)(H,21,22)/t12-,13?/m0/s1