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

Systemtic Name: 1-[methyl-[[oxidanyl(4-phenylbutyl)phosphoryl]methyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[hydroxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[hydroxy(4-phenylbutyl)phosphoryl]methyl-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[hydroxy(4-phenylbutyl)phosphoryl]methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[hydroxy(4-phenylbutyl)phosphoryl]methyl-methyl-carbamoyl]proline Formula: C18H27N2O5P MolecularWeight: 382.391141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N2O5P/c1-19(18(23)20-12-7-11-16(20)17(21)22)14-26(24,25)13-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,21,22)(H,24,25)