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

Systemtic Name: (3R,4S,5S)-4-acetamido-5-azanyl-3-butyl-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5S)-4-acetamido-5-amino-3-butyl-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5S)-4-acetamido-5-amino-3-butyl-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5S)-4-acetamido-5-amino-3-butylcyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5S)-4-acetamido-5-amino-3-butyl-cyclohexene-1-carboxylic acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O3/c1-3-4-5-9-6-10(13(17)18)7-11(14)12(9)15-8(2)16/h6,9,11-12H,3-5,7,14H2,1-2H3,(H,15,16)(H,17,18)/t9-,11+,12+/m1/s1