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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(azepan-1-yl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(azepan-1-yl)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-azepanyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(azepan-1-yl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(azepan-1-yl)cyclohexene-1-carboxylic acid Formula: C15H25N3O3 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1N2CCCCCC2)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1N2CCCCCC2)C(=O)O)N

InChI

InChI=1S/C15H25N3O3/c1-10(19)17-14-12(16)8-11(15(20)21)9-13(14)18-6-4-2-3-5-7-18/h9,12-14H,2-8,16H2,1H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1