2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-3-(trimethylazaniumyl)butyl]-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]propanoate

Systemtic Name: 2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-3-(trimethylazaniumyl)butyl]-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]propanoate Openeye Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazol-4-yl]propanoate CAS Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolyl]propanoate IUPAC Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanoate Traditional Name: 2-amino-3-[2-[4-amino-4-keto-3-(trimethylammonio)butyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]imidazol-4-yl]propionate Formula: C18H31N5O7 MolecularWeight: 429.46804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CCC1=NC(=CN1C2C(C(C(O2)CO)O)O)CC(C(=O)[O-])N)C(=O)N

Isomeric SMILES

C[N+](C)(C)C(CCC1=NC(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(C(=O)[O-])N)C(=O)N

InChI

InChI=1S/C18H31N5O7/c1-23(2,3)11(16(20)27)4-5-13-21-9(6-10(19)18(28)29)7-22(13)17-15(26)14(25)12(8-24)30-17/h7,10-12,14-15,17,24-26H,4-6,8,19H2,1-3H3,(H2-,20,27,28,29)/t10?,11?,12-,14-,15-,17-/m1/s1