(E)-4-[1,4-bis(oxidanyl)butan-2-ylamino]but-2-enoic acid

Systemtic Name: (E)-4-[1,4-bis(oxidanyl)butan-2-ylamino]but-2-enoic acid Openeye Name: (E)-4-[[3-hydroxy-1-(hydroxymethyl)propyl]amino]but-2-enoic acid CAS Name: (E)-4-(1,4-dihydroxybutan-2-ylamino)-2-butenoic acid IUPAC Name: (E)-4-(1,4-dihydroxybutan-2-ylamino)but-2-enoic acid Traditional Name: (E)-4-[(3-hydroxy-1-methylol-propyl)amino]but-2-enoic acid Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(CO)NCC=CC(=O)O

Isomeric SMILES

C(CO)C(CO)NC/C=C/C(=O)O

InChI

InChI=1S/C8H15NO4/c10-5-3-7(6-11)9-4-1-2-8(12)13/h1-2,7,9-11H,3-6H2,(H,12,13)/b2-1+