(1R,2R,4S)-2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-4-(hydroxymethyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R,4S)-2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-4-(hydroxymethyl)cyclohexane-1-carboxylic acid Openeye Name: (1R,2R,4S)-2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-4-(hydroxymethyl)cyclohexanecarboxylic acid CAS Name: (1R,2R,4S)-2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-4-(hydroxymethyl)-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R,4S)-2-(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-4-(hydroxymethyl)cyclohexane-1-carboxylic acid Traditional Name: (1R,2R,4S)-2-(2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)-4-methylol-cyclohexanecarboxylic acid Formula: C18H29NO8 MolecularWeight: 387.42476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CC(CCC1C(=O)O)CO)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[C@H]1C[C@H](CC[C@H]1C(=O)O)CO)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H29NO8/c1-4-26-16(24)18(19-11(3)21,17(25)27-5-2)9-13-8-12(10-20)6-7-14(13)15(22)23/h12-14,20H,4-10H2,1-3H3,(H,19,21)(H,22,23)/t12-,13+,14+/m0/s1