(3S,4R,5S)-4-acetamido-5-azanyl-2-chloranyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3S,4R,5S)-4-acetamido-5-azanyl-2-chloranyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3S,4R,5S)-4-acetamido-5-amino-2-chloro-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: (3S,4R,5S)-4-acetamido-5-amino-2-chloro-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3S,4R,5S)-4-acetamido-5-amino-2-chloro-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3S,4R,5S)-4-acetamido-5-amino-2-chloro-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid Formula: C14H23ClN2O4 MolecularWeight: 318.79642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C(C(CC(=C1Cl)C(=O)O)N)NC(=O)C

Isomeric SMILES

CCC(CC)O[C@H]1[C@@H]([C@H](CC(=C1Cl)C(=O)O)N)NC(=O)C

InChI

InChI=1S/C14H23ClN2O4/c1-4-8(5-2)21-13-11(15)9(14(19)20)6-10(16)12(13)17-7(3)18/h8,10,12-13H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)/t10-,12+,13+/m0/s1