1-[2-[(2-benzamido-4-methyl-pentyl)-oxidanyl-phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(2-benzamido-4-methyl-pentyl)-oxidanyl-phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-benzamido-4-methyl-pentyl)-hydroxy-phosphoryl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-benzamido-4-methylpentyl)-hydroxyphosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-benzamido-4-methylpentyl)-hydroxyphosphoryl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-benzamido-4-methyl-pentyl)-hydroxy-phosphoryl]acetyl]proline Formula: C20H29N2O6P MolecularWeight: 424.427821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N2O6P/c1-14(2)11-16(21-19(24)15-7-4-3-5-8-15)12-29(27,28)13-18(23)22-10-6-9-17(22)20(25)26/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,21,24)(H,25,26)(H,27,28)