1-[2-[[1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-(3-nitrooxypropoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-(3-nitrooxypropoxy)-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-(3-nitrooxypropoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]proline Formula: C21H29N3O8 MolecularWeight: 451.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O8/c1-15(19(25)23-12-5-9-18(23)20(26)27)22-17(11-10-16-7-3-2-4-8-16)21(28)31-13-6-14-32-24(29)30/h2-4,7-8,15,17-18,22H,5-6,9-14H2,1H3,(H,26,27)