6-azanyl-2-[[1-(dodecanoylamino)-2-methyl-propyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-(dodecanoylamino)-2-methyl-propyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[[1-(dodecanoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[2-methyl-1-(1-oxododecylamino)propyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[[1-(dodecanoylamino)-2-methylpropyl]-hydroxyphosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[hydroxy-[1-(lauroylamino)-2-methyl-propyl]phosphoryl]oxy-hexanoic acid Formula: C22H45N2O6P MolecularWeight: 464.576261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(C)C)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(C)C)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C22H45N2O6P/c1-4-5-6-7-8-9-10-11-12-16-20(25)24-21(18(2)3)31(28,29)30-19(22(26)27)15-13-14-17-23/h18-19,21H,4-17,23H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)