(2-acetyloxy-2-ethanoyl-3-oxidanylidene-butyl)-trimethyl-azanium; 6-azanyl-2-[carboxy-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Systemtic Name: (2-acetyloxy-2-ethanoyl-3-oxidanylidene-butyl)-trimethyl-azanium; 6-azanyl-2-[carboxy-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: (2-acetoxy-2-acetyl-3-oxo-butyl)-trimethyl-ammonium; 6-amino-2-[carboxy-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: (2-acetyl-2-acetyloxy-3-oxobutyl)-trimethylammonium; 6-amino-2-[carboxy-[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: (2-acetyl-2-acetyloxy-3-oxobutyl)-trimethylazanium; 6-amino-2-[carboxy-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: (2-acetoxy-2-acetyl-3-keto-butyl)-trimethyl-ammonium; 6-amino-2-[carboxy-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoic acid; 2,3-dihydropyridine; (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C41H65N7O16PS+ MolecularWeight: 975.030861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.CC(=O)C(C[N+](C)(C)C)(C(=O)C)OC(=O)C.C1CN=CC=C1.C1C2C(C(S1)CCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)O)NC(=O)N2

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.CC(=O)C(C[N+](C)(C)C)(C(=O)C)OC(=O)C.C1CN=CC=C1.C1C2C(C(S1)CCCCC(=O)N(C(CCCCN)C(=O)O)C(=O)O)NC(=O)N2

InChI

InChI=1S/C17H28N4O6S.C11H20NO4.C8H10NO6P.C5H7N/c18-8-4-3-5-11(15(23)24)21(17(26)27)13(22)7-2-1-6-12-14-10(9-28-12)19-16(25)20-14;1-8(13)11(9(2)14,16-10(3)15)7-12(4,5)6;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;1-2-4-6-5-3-1/h10-12,14H,1-9,18H2,(H,23,24)(H,26,27)(H2,19,20,25);7H2,1-6H3;2-3,11H,4H2,1H3,(H2,12,13,14);1-2,4H,3,5H2/q;+1;;