3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; (2S)-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; (2S)-pyrrolidine-2-carboxylic acid Openeye Name: 3-nitrooxypropyl (2S)-2-(tert-butoxycarbonylamino)propanoate; (2S)-pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid 3-nitrooxypropyl ester; (2S)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; (2S)-pyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)propionic acid 3-nitrooxypropyl ester; (2S)-proline Formula: C16H29N3O9 MolecularWeight: 407.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCO[N+](=O)[O-])NC(=O)OC(C)(C)C.C1CC(NC1)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)OCCCO[N+](=O)[O-])NC(=O)OC(C)(C)C.C1C[C@H](NC1)C(=O)O

InChI

InChI=1S/C11H20N2O7.C5H9NO2/c1-8(12-10(15)20-11(2,3)4)9(14)18-6-5-7-19-13(16)17;7-5(8)4-2-1-3-6-4/h8H,5-7H2,1-4H3,(H,12,15);4,6H,1-3H2,(H,7,8)/t8-;4-/m00/s1