2-[2-[[3-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]carbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[3-[[2-(carboxymethylamino)-2-oxidanylidene-ethyl]carbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-[[2-(carboxymethylamino)-2-oxo-ethyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[3-[[[2-(carboxymethylamino)-2-oxoethyl]amino]-oxomethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[3-[[2-(carboxymethylamino)-2-oxoethyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-[[2-(carboxymethylamino)-2-keto-ethyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]acetyl]amino]acetic acid Formula: C16H22N4O9 MolecularWeight: 414.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)C(=O)NCC(=O)NCC(=O)O)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1CC2C(C(C1O2)C(=O)NCC(=O)NCC(=O)O)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C16H22N4O9/c21-9(17-5-11(23)24)3-19-15(27)13-7-1-2-8(29-7)14(13)16(28)20-4-10(22)18-6-12(25)26/h7-8,13-14H,1-6H2,(H,17,21)(H,18,22)(H,19,27)(H,20,28)(H,23,24)(H,25,26)