(2S)-1-[(2S)-2-methyl-3-(5-nitrooxypentanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(5-nitrooxypentanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(5-nitrooxypentanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[(5-nitrooxy-1-oxopentyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(5-nitrooxypentanoylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(5-nitrooxypentanoylthio)propanoyl]proline Formula: C14H22N2O7S MolecularWeight: 362.39868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O7S/c1-10(13(18)15-7-4-5-11(15)14(19)20)9-24-12(17)6-2-3-8-23-16(21)22/h10-11H,2-9H2,1H3,(H,19,20)/t10-,11+/m1/s1