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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[butyl(ethyl)amino]cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(ethyl)amino]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(ethyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(ethyl)amino]cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[butyl(ethyl)amino]cyclohexene-1-carboxylic acid Formula: C15H27N3O3 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O3/c1-4-6-7-18(5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1