(phenylmethyl) (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-sulfanidyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-sulfanidyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-[2-(tert-butoxycarbonylamino)-4-methyl-pentyl]-1-sulfido-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]-1-sulfido-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-sulfidopyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[2-(tert-butoxycarbonylamino)-4-methyl-pentyl]-1-sulfido-pyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C23H36N2O4S MolecularWeight: 436.60794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)[S-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C[N+]1(CCC[C@H]1C(=O)OCC2=CC=CC=C2)[S-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O4S/c1-17(2)14-19(24-22(27)29-23(3,4)5)15-25(30)13-9-12-20(25)21(26)28-16-18-10-7-6-8-11-18/h6-8,10-11,17,19-20H,9,12-16H2,1-5H3,(H,24,27)/t19?,20-,25?/m0/s1