1-[ethyl-[[oxidanyl(4-phenylbutyl)phosphoryl]methyl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[ethyl-[[oxidanyl(4-phenylbutyl)phosphoryl]methyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[ethyl-[[hydroxy(4-phenylbutyl)phosphoryl]methyl]carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[ethyl-[[hydroxy(4-phenylbutyl)phosphoryl]methyl]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[ethyl-[[hydroxy(4-phenylbutyl)phosphoryl]methyl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[ethyl-[[hydroxy(4-phenylbutyl)phosphoryl]methyl]carbamoyl]proline Formula: C19H29N2O5P MolecularWeight: 396.417721

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CP(=O)(CCCCC1=CC=CC=C1)O)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCN(CP(=O)(CCCCC1=CC=CC=C1)O)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C19H29N2O5P/c1-2-20(19(24)21-13-8-12-17(21)18(22)23)15-27(25,26)14-7-6-11-16-9-4-3-5-10-16/h3-5,9-10,17H,2,6-8,11-15H2,1H3,(H,22,23)(H,25,26)