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

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-methyl-3-[[4-nitrooxybutoxy(oxo)methyl]thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutoxycarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-methyl-3-(4-nitrooxybutoxycarbonylthio)propanoyl]proline Formula: C14H22N2O8S MolecularWeight: 378.39808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O8S/c1-10(12(17)15-6-4-5-11(15)13(18)19)9-25-14(20)23-7-2-3-8-24-16(21)22/h10-11H,2-9H2,1H3,(H,18,19)/t10-,11+/m1/s1