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Inherent Properties, Identifiers and References
ChemSpider ID: 70384
Empirical Formula: C16H31N2O8P
Molecular Weight: 410.3997
Nominal Mass: 410 Da
Average Mass: 410.3997 Da
Monoisotopic Mass: 410.181802 Da
Systematic Name: ethyl (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cycloh​ex-1-ene-1-carboxylate phosphate (1:1)
SMILES: O=P(O)(O)O.O=C(OCC)/C1=C/[C@@H](OC(CC)CC)[C@H](NC(=O)C)[C@@H](N)C​1 Copy
InChI: InChI=1/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13​(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)​;(H3,1,2,3,4)/t13-,14+,15+;/m0./s1 Copy
InChIKey: PGZUMBJQJWIWGJ-ONAKXNSWBB
Std. InChI: InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-1​3(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19​);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1 Copy
Std. InChIKey: PGZUMBJQJWIWGJ-ONAKXNSWSA-N
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