[(3R,4R,5S)-4-acetamido-5-azaniumyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinate

Systemtic Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinate Openeye Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-(1-ethylpropoxy)cyclohexen-1-yl]-methoxy-phosphinate CAS Name: [(3R,4R,5S)-4-acetamido-5-ammonio-3-pentan-3-yloxy-1-cyclohexenyl]-methoxyphosphinate IUPAC Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-pentan-3-yloxycyclohexen-1-yl]-methoxyphosphinate Traditional Name: [(3R,4R,5S)-4-acetamido-5-ammonio-3-(1-ethylpropoxy)cyclohexen-1-yl]-methoxy-phosphinate Formula: C14H27N2O5P MolecularWeight: 334.348341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)[NH3+])P(=O)([O-])OC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)[NH3+])P(=O)([O-])OC

InChI

InChI=1S/C14H27N2O5P/c1-5-10(6-2)21-13-8-11(22(18,19)20-4)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)/t12-,13+,14+/m0/s1