2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]octanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]octanoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]octanoic acid CAS Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]octanoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]octanoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]caprylic acid Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)NC(CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C14H23N3O4/c1-2-3-4-5-6-11(13(18)19)17-12(14(20)21)7-10-8-15-9-16-10/h8-9,11-12,17H,2-7H2,1H3,(H,15,16)(H,18,19)(H,20,21)