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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(4-methylpiperazin-1-yl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-methylpiperazin-1-yl)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-methyl-1-piperazinyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-methylpiperazin-1-yl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(4-methylpiperazino)cyclohexene-1-carboxylic acid Formula: C14H24N4O3 MolecularWeight: 296.36536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1N2CCN(CC2)C)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1N2CCN(CC2)C)C(=O)O)N

InChI

InChI=1S/C14H24N4O3/c1-9(19)16-13-11(15)7-10(14(20)21)8-12(13)18-5-3-17(2)4-6-18/h8,11-13H,3-7,15H2,1-2H3,(H,16,19)(H,20,21)/t11-,12+,13+/m0/s1