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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid; phosphoric acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid; phosphoric acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid; phosphoric acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid; phosphoric acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid; phosphoric acid Formula: C14H27N2O8P MolecularWeight: 382.346541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O.OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O4.H3O4P/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17;1-5(2,3)4/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19);(H3,1,2,3,4)/t11-,12+,13+;/m0./s1