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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[cyclohexyl(methyl)amino]cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[cyclohexyl(methyl)amino]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[cyclohexyl(methyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[cyclohexyl(methyl)amino]cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[cyclohexyl(methyl)amino]cyclohexene-1-carboxylic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1N(C)C2CCCCC2)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1N(C)C2CCCCC2)C(=O)O)N

InChI

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