Ethyl (3R,4R,5S)-4-Acetamido-5-Amino-3-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylate 2-Hydroxy-1,2,3-Propanetricarboxylate (1:1)
[CAS# 209965-30-0]

Identification

• Name: Ethyl (3R,4R,5S)-4-Acetamido-5-Amino-3-(3-Pentanyloxy)-1-Cyclohexene-1-Carboxylate 2-Hydroxy-1,2,3-Propanetricarboxylate (1:1)
• Molecular Formula: C₂₂H₃₆N₂O₁₁
• Molecular Weight: 504.53
• CAS Registry Number: 209965-30-0
• SMILES: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• InChI: 1S/C16H28N2O4.C6H8O7/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-,14+,15+;/m0./s1
• InChIKey: RTTTXRYICWJNLK-ONAKXNSWSA-N

Properties

• Refractive index: (Cal.)