(2S)-1-[(2S)-2-methyl-3-(nitrooxymethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(nitrooxymethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(nitrooxymethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[[nitrooxymethoxy(oxo)methyl]thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(nitrooxymethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(nitrooxymethoxycarbonylthio)propanoyl]proline Formula: C11H16N2O8S MolecularWeight: 336.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)OCO[N+](=O)[O-])C(=O)N1CCCC1C(=O)O

Isomeric SMILES

C[C@H](CSC(=O)OCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C11H16N2O8S/c1-7(5-22-11(17)20-6-21-13(18)19)9(14)12-4-2-3-8(12)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)/t7-,8+/m1/s1