(2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[(4-nitrooxy-1-oxobutyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutanoylthio)propanoyl]proline Formula: C13H20N2O7S MolecularWeight: 348.3721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O7S/c1-9(8-23-11(16)5-3-7-22-15(20)21)12(17)14-6-2-4-10(14)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)/t9-,10+/m1/s1