1-[6-[azanyl-(2-oxidanyl-4-phenyl-butyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-[azanyl-(2-oxidanyl-4-phenyl-butyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-[amino-(2-hydroxy-4-phenyl-butyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-[amino-(2-hydroxy-4-phenylbutyl)phosphoryl]oxy-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-[amino-(2-hydroxy-4-phenylbutyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-[amino-(2-hydroxy-4-phenyl-butyl)phosphoryl]oxyhexanoyl]proline Formula: C21H33N2O6P MolecularWeight: 440.470281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCOP(=O)(CC(CCC2=CC=CC=C2)O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCCCCOP(=O)(CC(CCC2=CC=CC=C2)O)N)C(=O)O

InChI

InChI=1S/C21H33N2O6P/c22-30(28,16-18(24)13-12-17-8-3-1-4-9-17)29-15-6-2-5-11-20(25)23-14-7-10-19(23)21(26)27/h1,3-4,8-9,18-19,24H,2,5-7,10-16H2,(H2,22,28)(H,26,27)