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

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(3-nitrooxypropoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(3-nitrooxypropoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[[3-nitrooxypropoxy(oxo)methyl]thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(3-nitrooxypropoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(3-nitrooxypropoxycarbonylthio)propanoyl]proline Formula: C13H20N2O8S MolecularWeight: 364.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O8S/c1-9(11(16)14-5-2-4-10(14)12(17)18)8-24-13(19)22-6-3-7-23-15(20)21/h9-10H,2-8H2,1H3,(H,17,18)/t9-,10+/m1/s1