1-[6-azanyl-2-[1-butanoyloxypentyl(oxidanyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[1-butanoyloxypentyl(oxidanyl)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[1-butanoyloxypentyl(hydroxy)phosphoryl]oxy-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[hydroxy-[1-(1-oxobutoxy)pentyl]phosphoryl]oxy-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[1-butanoyloxypentyl(hydroxy)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[1-butyryloxypentyl(hydroxy)phosphoryl]oxy-hexanoyl]proline Formula: C20H37N2O8P MolecularWeight: 464.490141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(OC(=O)CCC)P(=O)(O)OC(CCCCN)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCC(OC(=O)CCC)P(=O)(O)OC(CCCCN)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C20H37N2O8P/c1-3-5-12-18(29-17(23)9-4-2)31(27,28)30-16(11-6-7-13-21)19(24)22-14-8-10-15(22)20(25)26/h15-16,18H,3-14,21H2,1-2H3,(H,25,26)(H,27,28)