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

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(1-nitrooxyethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(1-nitrooxyethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[[1-nitrooxyethoxy(oxo)methyl]thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(1-nitrooxyethoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(1-nitrooxyethoxycarbonylthio)propanoyl]proline Formula: C12H18N2O8S MolecularWeight: 350.34492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O8S/c1-7(6-23-12(18)21-8(2)22-14(19)20)10(15)13-5-3-4-9(13)11(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)/t7-,8?,9+/m1/s1