(2S)-1-[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[9-(mercaptomethyl)-10-oxo-2-azecanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[10-keto-9-(mercaptomethyl)azecane-2-carbonyl]proline Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(NC(=O)C(CC1)CS)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C1CCCC(NC(=O)C(CC1)CS)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C16H26N2O4S/c19-14-11(10-23)6-3-1-2-4-7-12(17-14)15(20)18-9-5-8-13(18)16(21)22/h11-13,23H,1-10H2,(H,17,19)(H,21,22)/t11?,12?,13-/m0/s1