azanium [(3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-pentan-3-yloxy-cyclohexen-1-yl]-ethoxy-phosphinate

Systemtic Name: azanium [(3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-pentan-3-yloxy-cyclohexen-1-yl]-ethoxy-phosphinate Openeye Name: ammonium [(3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexen-1-yl]-ethoxy-phosphinate CAS Name: ammonium [(3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxy-1-cyclohexenyl]-ethoxyphosphinate IUPAC Name: azanium [(3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxycyclohexen-1-yl]-ethoxyphosphinate Traditional Name: ammonium [(3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexen-1-yl]-ethoxy-phosphinate Formula: C16H34N5O5P MolecularWeight: 407.445421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N=C(N)N)P(=O)([O-])OCC.[NH4+]

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=C(N)N)P(=O)([O-])OCC.[NH4+]

InChI

InChI=1S/C16H31N4O5P.H3N/c1-5-11(6-2)25-14-9-12(26(22,23)24-7-3)8-13(20-16(17)18)15(14)19-10(4)21;/h9,11,13-15H,5-8H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20);1H3/t13-,14+,15+;/m0./s1