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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(4-ethylpiperidin-1-yl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-ethyl-1-piperidyl)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-ethyl-1-piperidinyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-ethylpiperidin-1-yl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-ethylpiperidino)cyclohexene-1-carboxylic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CCC1CCN(CC1)[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C16H27N3O3/c1-3-11-4-6-19(7-5-11)14-9-12(16(21)22)8-13(17)15(14)18-10(2)20/h9,11,13-15H,3-8,17H2,1-2H3,(H,18,20)(H,21,22)/t13-,14+,15+/m0/s1