1-[2-[[(E)-1-oxidanyl-1-oxidanylidene-4-phenyl-but-3-en-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[(E)-1-oxidanyl-1-oxidanylidene-4-phenyl-but-3-en-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[(E)-1-carboxy-3-phenyl-allyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(E)-1-hydroxy-1-oxo-4-phenylbut-3-en-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[(E)-1-hydroxy-1-oxo-4-phenylbut-3-en-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[(E)-1-carboxy-3-phenyl-allyl]amino]propanoyl]proline Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(C=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22N2O5/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/h2-4,6-7,9-10,12,14-15,19H,5,8,11H2,1H3,(H,22,23)(H,24,25)/b10-9+