5-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-1-[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]pyridin-1-ium-3-olate

Systemtic Name: 5-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-1-[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]pyridin-1-ium-3-olate Openeye Name: 5-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-1-[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]pyridin-1-ium-3-olate CAS Name: 5-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-[(5S)-5-amino-6-hydroxy-6-oxohexyl]-4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-3-pyridin-1-iumolate IUPAC Name: 5-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-1-[(5S)-5-amino-6-hydroxy-6-oxohexyl]-4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]pyridin-1-ium-3-olate Traditional Name: 5-[(3S)-3-amino-4-hydroxy-4-keto-butyl]-1-[(5S)-5-amino-6-hydroxy-6-keto-hexyl]-4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]pyridin-1-ium-3-olate Formula: C18H28N4O7 MolecularWeight: 412.43752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)[O-])CC(C(=O)O)N)CCC(C(=O)O)N

Isomeric SMILES

C1=C(C(=C(C=[N+]1CCCC[C@@H](C(=O)O)N)[O-])C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1