3-[[3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentyl]amino]propanoic acid

Systemtic Name: 3-[[3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-pentyl]amino]propanoic acid Openeye Name: 3-[[3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-4-ethoxycarbonyl-5-oxo-pentyl]amino]propanoic acid CAS Name: 3-[[3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-4-ethoxycarbonyl-5-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-4-ethoxycarbonyl-5-oxopentyl]amino]propanoic acid Traditional Name: 3-[[4-carbethoxy-3-[2-(2-carboxyethylamino)ethyl]-5-ethoxy-5-keto-pentyl]amino]propionic acid Formula: C18H32N2O8 MolecularWeight: 404.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCNCCC(=O)O)CCNCCC(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CCNCCC(=O)O)CCNCCC(=O)O)C(=O)OCC

InChI

InChI=1S/C18H32N2O8/c1-3-27-17(25)16(18(26)28-4-2)13(5-9-19-11-7-14(21)22)6-10-20-12-8-15(23)24/h13,16,19-20H,3-12H2,1-2H3,(H,21,22)(H,23,24)