(E)-4-oxidanylidene-4-[5-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentylamino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[5-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]pentylamino]but-2-enoic acid Openeye Name: (E)-4-[5-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]pentylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[5-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]pentylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[5-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]pentylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[5-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]pentylamino]-4-keto-but-2-enoic acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

C(CCNC(=O)C=CC(=O)O)CCNC(=O)C=CC(=O)O

Isomeric SMILES

C(CCNC(=O)/C=C/C(=O)O)CCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H18N2O6/c16-10(4-6-12(18)19)14-8-2-1-3-9-15-11(17)5-7-13(20)21/h4-7H,1-3,8-9H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/b6-4+,7-5+