(E)-2,5-bis(azanyl)-2-ethynyl-hex-3-enoic acid

Systemtic Name: (E)-2,5-bis(azanyl)-2-ethynyl-hex-3-enoic acid Openeye Name: (E)-2,5-diamino-2-ethynyl-hex-3-enoic acid CAS Name: (E)-2,5-diamino-2-ethynyl-3-hexenoic acid IUPAC Name: (E)-2,5-diamino-2-ethynylhex-3-enoic acid Traditional Name: (E)-2,5-diamino-2-ethynyl-hex-3-enoic acid Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C#C)(C(=O)O)N)N

Isomeric SMILES

CC(/C=C/C(C#C)(C(=O)O)N)N

InChI

InChI=1S/C8H12N2O2/c1-3-8(10,7(11)12)5-4-6(2)9/h1,4-6H,9-10H2,2H3,(H,11,12)/b5-4+