(4-acetamido-1-azanyl-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-1-phosphono-pentyl)phosphonic acid

Systemtic Name: (4-acetamido-1-azanyl-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-1-phosphono-pentyl)phosphonic acid Openeye Name: (4-acetamido-1-amino-5-ethoxy-4-ethoxycarbonyl-5-oxo-1-phosphono-pentyl)phosphonic acid CAS Name: (4-acetamido-1-amino-5-ethoxy-4-ethoxycarbonyl-5-oxo-1-phosphonopentyl)phosphonic acid IUPAC Name: (4-acetamido-1-amino-5-ethoxy-4-ethoxycarbonyl-5-oxo-1-phosphonopentyl)phosphonic acid Traditional Name: (4-acetamido-1-amino-4-carbethoxy-5-ethoxy-5-keto-1-phosphono-pentyl)phosphonic acid Formula: C12H24N2O11P2 MolecularWeight: 434.273282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(N)(P(=O)(O)O)P(=O)(O)O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC(N)(P(=O)(O)O)P(=O)(O)O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C12H24N2O11P2/c1-4-24-9(16)11(14-8(3)15,10(17)25-5-2)6-7-12(13,26(18,19)20)27(21,22)23/h4-7,13H2,1-3H3,(H,14,15)(H2,18,19,20)(H2,21,22,23)