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

Systemtic Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-pentan-3-yloxy-cyclohexen-1-yl]-hexoxy-phosphinate Openeye Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-(1-ethylpropoxy)cyclohexen-1-yl]-hexoxy-phosphinate CAS Name: [(3R,4R,5S)-4-acetamido-5-ammonio-3-pentan-3-yloxy-1-cyclohexenyl]-hexoxyphosphinate IUPAC Name: [(3R,4R,5S)-4-acetamido-5-azaniumyl-3-pentan-3-yloxycyclohexen-1-yl]-hexoxyphosphinate Traditional Name: [(3R,4R,5S)-4-acetamido-5-ammonio-3-(1-ethylpropoxy)cyclohexen-1-yl]-hexoxy-phosphinate Formula: C19H37N2O5P MolecularWeight: 404.481241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(C1=CC(C(C(C1)[NH3+])NC(=O)C)OC(CC)CC)[O-]

Isomeric SMILES

CCCCCCOP(=O)(C1=C[C@H]([C@@H]([C@H](C1)[NH3+])NC(=O)C)OC(CC)CC)[O-]

InChI

InChI=1S/C19H37N2O5P/c1-5-8-9-10-11-25-27(23,24)16-12-17(20)19(21-14(4)22)18(13-16)26-15(6-2)7-3/h13,15,17-19H,5-12,20H2,1-4H3,(H,21,22)(H,23,24)/t17-,18+,19+/m0/s1