(3R,4R,5S,6R)-4-acetamido-5-azanyl-6-methyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S,6R)-4-acetamido-5-azanyl-6-methyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S,6R)-4-acetamido-5-amino-3-(1-ethylpropoxy)-6-methyl-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S,6R)-4-acetamido-5-amino-6-methyl-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S,6R)-4-acetamido-5-amino-6-methyl-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S,6R)-4-acetamido-5-amino-3-(1-ethylpropoxy)-6-methyl-cyclohexene-1-carboxylic acid Formula: C15H26N2O4 MolecularWeight: 298.37794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O4/c1-5-10(6-2)21-12-7-11(15(19)20)8(3)13(16)14(12)17-9(4)18/h7-8,10,12-14H,5-6,16H2,1-4H3,(H,17,18)(H,19,20)/t8-,12-,13+,14+/m1/s1