3-[(E)-6-[2,4-bis(carboxymethyl)-3-oxidanylidene-piperazin-1-yl]-6-oxidanylidene-hex-3-enoyl]oxypentanoic acid

Systemtic Name: 3-[(E)-6-[2,4-bis(carboxymethyl)-3-oxidanylidene-piperazin-1-yl]-6-oxidanylidene-hex-3-enoyl]oxypentanoic acid Openeye Name: 3-[(E)-6-[2,4-bis(carboxymethyl)-3-oxo-piperazin-1-yl]-6-oxo-hex-3-enoyl]oxypentanoic acid CAS Name: 3-[(E)-6-[2,4-bis(carboxymethyl)-3-oxo-1-piperazinyl]-1,6-dioxohex-3-enoxy]pentanoic acid IUPAC Name: 3-[(E)-6-[2,4-bis(carboxymethyl)-3-oxopiperazin-1-yl]-6-oxohex-3-enoyl]oxypentanoic acid Traditional Name: 3-[(E)-6-[2,4-bis(carboxymethyl)-3-keto-piperazino]-6-keto-hex-3-enoyl]oxyvaleric acid Formula: C19H26N2O10 MolecularWeight: 442.41714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)OC(=O)CC=CCC(=O)N1CCN(C(=O)C1CC(=O)O)CC(=O)O

Isomeric SMILES

CCC(CC(=O)O)OC(=O)C/C=C/CC(=O)N1CCN(C(=O)C1CC(=O)O)CC(=O)O

InChI

InChI=1S/C19H26N2O10/c1-2-12(9-15(23)24)31-18(29)6-4-3-5-14(22)21-8-7-20(11-17(27)28)19(30)13(21)10-16(25)26/h3-4,12-13H,2,5-11H2,1H3,(H,23,24)(H,25,26)(H,27,28)/b4-3+