1-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid; (E)-but-2-enedioic acid

Systemtic Name: 1-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid; (E)-but-2-enedioic acid Openeye Name: 1-(2-aminopropanoyl)-2-(1-ethoxycarbonyl-3-phenyl-propyl)pyrrolidine-2-carboxylic acid; fumaric acid CAS Name: 1-(2-amino-1-oxopropyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-2-pyrrolidinecarboxylic acid; (E)-2-butenedioic acid IUPAC Name: 1-(2-aminopropanoyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid; (E)-but-2-enedioic acid Traditional Name: 1-alanyl-2-(1-carbethoxy-3-phenyl-propyl)proline; fumaric acid Formula: C24H32N2O9 MolecularWeight: 492.51888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)C2(CCCN2C(=O)C(C)N)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)C2(CCCN2C(=O)C(C)N)C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-18(24)16(11-10-15-8-5-4-6-9-15)20(19(25)26)12-7-13-22(20)17(23)14(2)21;5-3(6)1-2-4(7)8/h4-6,8-9,14,16H,3,7,10-13,21H2,1-2H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1+