(E)-2-azanyl-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-3-enoic acid

Systemtic Name: (E)-2-azanyl-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-3-enoic acid Openeye Name: (E)-2-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-3-enoic acid CAS Name: (E)-2-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-hexenoic acid IUPAC Name: (E)-2-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-3-enoic acid Traditional Name: (E)-2-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hex-3-enoic acid Formula: C12H21N3O2 MolecularWeight: 239.31404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CCC=CC(C(=O)O)N)N

Isomeric SMILES

C1CCC(=NC(C1)CC/C=C/C(C(=O)O)N)N

InChI

InChI=1S/C12H21N3O2/c13-10(12(16)17)7-3-1-5-9-6-2-4-8-11(14)15-9/h3,7,9-10H,1-2,4-6,8,13H2,(H2,14,15)(H,16,17)/b7-3+