(E)-6-[2,6-bis(azanyl)hexanoylamino]hept-3-enedioic acid

Systemtic Name: (E)-6-[2,6-bis(azanyl)hexanoylamino]hept-3-enedioic acid Openeye Name: (E)-6-(2,6-diaminohexanoylamino)hept-3-enedioic acid CAS Name: (E)-6-[(2,6-diamino-1-oxohexyl)amino]-3-heptenedioic acid IUPAC Name: (E)-6-(2,6-diaminohexanoylamino)hept-3-enedioic acid Traditional Name: (E)-6-(2,6-diaminohexanoylamino)hept-3-enedioic acid Formula: C13H23N3O5 MolecularWeight: 301.33882

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)NC(CC=CCC(=O)O)C(=O)O)N

Isomeric SMILES

C(CCN)CC(C(=O)NC(C/C=C/CC(=O)O)C(=O)O)N

InChI

InChI=1S/C13H23N3O5/c14-8-4-3-5-9(15)12(19)16-10(13(20)21)6-1-2-7-11(17)18/h1-2,9-10H,3-8,14-15H2,(H,16,19)(H,17,18)(H,20,21)/b2-1+