1-[2-[[hexyl(phenylmethoxy)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[hexyl(phenylmethoxy)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[benzyloxy(hexyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[hexyl(phenylmethoxy)phosphoryl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[hexyl(phenylmethoxy)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[benzoxy(hexyl)phosphoryl]amino]propanoyl]proline Formula: C21H33N2O5P MolecularWeight: 424.470881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCP(=O)(NC(C)C(=O)N1CCCC1C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCP(=O)(NC(C)C(=O)N1CCCC1C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H33N2O5P/c1-3-4-5-9-15-29(27,28-16-18-11-7-6-8-12-18)22-17(2)20(24)23-14-10-13-19(23)21(25)26/h6-8,11-12,17,19H,3-5,9-10,13-16H2,1-2H3,(H,22,27)(H,25,26)