(2S)-1-[(2S)-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxylato-3-phenyl-propyl]ammonio]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]ammonio]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxylato-3-phenyl-propyl]ammonio]propanoyl]pyrrolidine-2-carboxylate Formula: C18H23N2O5- MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)[O-])[NH2+]C(CCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])[NH2+][C@@H](CCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/p-1/t12-,14-,15-/m0/s1