sodium 6-azanyl-7-cyclohexyl-4,5-bis(oxidanyl)hept-2-enoic acid

Systemtic Name: sodium 6-azanyl-7-cyclohexyl-4,5-bis(oxidanyl)hept-2-enoic acid Openeye Name: sodium 6-amino-7-cyclohexyl-4,5-dihydroxy-hept-2-enoic acid CAS Name: sodium 6-amino-7-cyclohexyl-4,5-dihydroxy-2-heptenoic acid IUPAC Name: sodium 6-amino-7-cyclohexyl-4,5-dihydroxyhept-2-enoic acid Traditional Name: sodium 6-amino-7-cyclohexyl-4,5-dihydroxy-hept-2-enoic acid Formula: C13H22NNaO4 MolecularWeight: 279.30785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C(C=[C-]C(=O)O)O)O)N.[Na+]

Isomeric SMILES

C1CCC(CC1)CC(C(C(C=[C-]C(=O)O)O)O)N.[Na+]

InChI

InChI=1S/C13H22NO4.Na/c14-10(8-9-4-2-1-3-5-9)13(18)11(15)6-7-12(16)17;/h6,9-11,13,15,18H,1-5,8,14H2,(H,16,17);/q-1;+1