(3R,4R,5S)-4-acetamido-5-azanyl-3-heptan-4-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-heptan-4-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-propylbutoxy)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-heptan-4-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-heptan-4-yloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-propylbutoxy)cyclohexene-1-carboxylic acid Formula: C16H28N2O4 MolecularWeight: 312.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

CCCC(CCC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C16H28N2O4/c1-4-6-12(7-5-2)22-14-9-11(16(20)21)8-13(17)15(14)18-10(3)19/h9,12-15H,4-8,17H2,1-3H3,(H,18,19)(H,20,21)/t13-,14+,15+/m0/s1