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

Systemtic Name: (3S,4R,5S)-4-acetamido-5-azanyl-2-methylsulfanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3S,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-2-methylsulfanyl-cyclohexene-1-carboxylic acid CAS Name: (3S,4R,5S)-4-acetamido-5-amino-2-(methylthio)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3S,4R,5S)-4-acetamido-5-amino-2-methylsulfanyl-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3S,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-2-(methylthio)cyclohexene-1-carboxylic acid Formula: C15H26N2O4S MolecularWeight: 330.44294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C(C(CC(=C1SC)C(=O)O)N)NC(=O)C

Isomeric SMILES

CCC(CC)O[C@H]1[C@@H]([C@H](CC(=C1SC)C(=O)O)N)NC(=O)C

InChI

InChI=1S/C15H26N2O4S/c1-5-9(6-2)21-13-12(17-8(3)18)11(16)7-10(15(19)20)14(13)22-4/h9,11-13H,5-7,16H2,1-4H3,(H,17,18)(H,19,20)/t11-,12+,13-/m0/s1