ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester; citric acid Formula: C22H36N2O11 MolecularWeight: 504.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric 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

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