(phenylmethyl) 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-sulfanyl-methyl]-3-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-sulfanyl-methyl]-3-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[(tert-butoxycarbonylamino)-sulfanyl-methyl]-3-hydroxy-pyrrolidine-1-carboxylate CAS Name: 3-hydroxy-3-[mercapto-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]-sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(tert-butoxycarbonylamino)-mercapto-methyl]-3-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)O)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)O)S

InChI

InChI=1S/C18H26N2O5S/c1-17(2,3)25-15(21)19-14(26)18(23)9-10-20(12-18)16(22)24-11-13-7-5-4-6-8-13/h4-8,14,23,26H,9-12H2,1-3H3,(H,19,21)