2-[3-[[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]propanoylamino]pentanedioic acid

Systemtic Name: 2-[3-[[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]carbonylamino]propanoylamino]pentanedioic acid Openeye Name: 2-[3-[[(2S,3S,4R,5R)-5-(2,4-dioxohexahydropyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]propanoylamino]pentanedioic acid CAS Name: 2-[[3-[[[(2S,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-2-oxolanyl]-oxomethyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[3-[[(2S,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]propanoylamino]pentanedioic acid Traditional Name: 2-[3-[[(2S,3S,4R,5R)-5-(2,4-diketohexahydropyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]amino]propanoylamino]glutaric acid Formula: C17H24N4O11 MolecularWeight: 460.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)O)O

Isomeric SMILES

C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)O)O

InChI

InChI=1S/C17H24N4O11/c22-8(19-7(16(29)30)1-2-10(24)25)3-5-18-14(28)13-11(26)12(27)15(32-13)21-6-4-9(23)20-17(21)31/h7,11-13,15,26-27H,1-6H2,(H,18,28)(H,19,22)(H,24,25)(H,29,30)(H,20,23,31)/t7?,11-,12+,13-,15+/m0/s1