[(5S)-5-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methoxy-6-oxidanylidene-hexyl]azanium

Systemtic Name: [(5S)-5-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methoxy-6-oxidanylidene-hexyl]azanium Openeye Name: [(5S)-5-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methoxy-6-oxo-hexyl]ammonium CAS Name: [(5S)-5-[[(2S)-2-ammonio-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-6-methoxy-6-oxohexyl]ammonium IUPAC Name: [(5S)-5-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methoxy-6-oxohexyl]azanium Traditional Name: [(1S)-2-[[(1S)-5-ammonio-1-carbomethoxy-pentyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]ammonium Formula: C13H25N5O3+2 MolecularWeight: 299.3693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC[NH3+])NC(=O)C(CC1=CN=CN1)[NH3+]

Isomeric SMILES

COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC1=CN=CN1)[NH3+]

InChI

InChI=1S/C13H23N5O3/c1-21-13(20)11(4-2-3-5-14)18-12(19)10(15)6-9-7-16-8-17-9/h7-8,10-11H,2-6,14-15H2,1H3,(H,16,17)(H,18,19)/p+2/t10-,11-/m0/s1