(2S)-1-[(2S)-2-(octanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-(octanoylamino)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-hydroxy-2-(octanoylamino)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-hydroxy-1-oxo-2-(1-oxooctylamino)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-hydroxy-2-(octanoylamino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-(caprylylamino)-3-hydroxy-propanoyl]proline Formula: C16H28N2O5 MolecularWeight: 328.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CO)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C16H28N2O5/c1-2-3-4-5-6-9-14(20)17-12(11-19)15(21)18-10-7-8-13(18)16(22)23/h12-13,19H,2-11H2,1H3,(H,17,20)(H,22,23)/t12-,13-/m0/s1