(2S)-2-[octyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-sulfinate

Systemtic Name: (2S)-2-[octyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-sulfinate Openeye Name: (2S)-2-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]-octyl-carbamoyl]pyrrolidine-1-sulfinate CAS Name: (2S)-2-[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-octylamino]-oxomethyl]-1-pyrrolidinesulfinate IUPAC Name: (2S)-2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]-octylcarbamoyl]pyrrolidine-1-sulfinate Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]-octyl-carbamoyl]pyrrolidine-1-sulfinate Formula: C22H33N2O5S- MolecularWeight: 437.57282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2CCCN2S(=O)[O-]

Isomeric SMILES

CCCCCCCCN([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)[C@@H]2CCCN2S(=O)[O-]

InChI

InChI=1S/C22H34N2O5S/c1-2-3-4-5-6-10-15-23(21(25)19-14-11-16-24(19)30(28)29)20(22(26)27)17-18-12-8-7-9-13-18/h7-9,12-13,19-20H,2-6,10-11,14-17H2,1H3,(H,26,27)(H,28,29)/p-1/t19-,20-/m0/s1