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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[butyl(methyl)amino]cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(methyl)amino]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(methyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(methyl)amino]cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(methyl)amino]cyclohexene-1-carboxylic acid Formula: C14H25N3O3 MolecularWeight: 283.3666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O3/c1-4-5-6-17(3)12-8-10(14(19)20)7-11(15)13(12)16-9(2)18/h8,11-13H,4-7,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1