1-[(2-benzamido-3-oxidanyl-3-oxidanylidene-propyl)-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-benzamido-3-oxidanyl-3-oxidanylidene-propyl)-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-benzamido-3-hydroxy-3-oxo-propyl)-ethyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(2-benzamido-3-hydroxy-3-oxopropyl)-ethylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-benzamido-3-hydroxy-3-oxopropyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-benzamido-3-hydroxy-3-keto-propyl)-ethyl-carbamoyl]proline Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C(=O)O)NC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCN(CC(C(=O)O)NC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C18H23N3O6/c1-2-20(18(27)21-10-6-9-14(21)17(25)26)11-13(16(23)24)19-15(22)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,19,22)(H,23,24)(H,25,26)