(2R)-2-azanyl-6-[3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-5-oxidanyl-pyridin-1-ium-1-yl]hexanoate

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

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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+/m1/s1