[(3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]phosphonic acid; azane

Systemtic Name: [(3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]phosphonic acid; azane Openeye Name: [(3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexen-1-yl]phosphonic acid; ammonia CAS Name: [(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenyl]phosphonic acid; ammonia IUPAC Name: [(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]phosphonic acid; azane Traditional Name: [(3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexen-1-yl]phosphonic acid; ammonia Formula: C13H31N4O5P MolecularWeight: 354.382801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N2O5P.2H3N/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16;;/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19);2*1H3/t11-,12+,13+;;/m0../s1