tris[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propyl] phosphate

Systemtic Name: tris[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propyl] phosphate Openeye Name: tris[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] phosphate CAS Name: phosphoric acid tris[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] ester IUPAC Name: tris[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] phosphate Traditional Name: phosphoric acid tris[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] ester Formula: C18H30N9O4P MolecularWeight: 467.462461

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(COP(=O)(OCC(CC2=CN=CN2)N)OCC(CC3=CN=CN3)N)N

Isomeric SMILES

C1=C(NC=N1)C[C@@H](COP(=O)(OC[C@H](CC2=CN=CN2)N)OC[C@H](CC3=CN=CN3)N)N

InChI

InChI=1S/C18H30N9O4P/c19-13(1-16-4-22-10-25-16)7-29-32(28,30-8-14(20)2-17-5-23-11-26-17)31-9-15(21)3-18-6-24-12-27-18/h4-6,10-15H,1-3,7-9,19-21H2,(H,22,25)(H,23,26)(H,24,27)/t13-,14-,15-/m0/s1