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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-[methyl(pentan-3-yl)amino]cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-[1-ethylpropyl(methyl)amino]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(pentan-3-yl)amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(pentan-3-yl)amino]cyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[1-ethylpropyl(methyl)amino]cyclohexene-1-carboxylic acid ethyl ester Formula: C17H31N3O3 MolecularWeight: 325.44634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O3/c1-6-13(7-2)20(5)15-10-12(17(22)23-8-3)9-14(18)16(15)19-11(4)21/h10,13-16H,6-9,18H2,1-5H3,(H,19,21)/t14-,15+,16+/m0/s1