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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O3/c1-5-11(6-2)18(4)13-8-10(15(20)21)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1