[1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C108H133N20O28+5 — CID 158342870

About [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

[1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 158342870) has the molecular formula C108H133N20O28+5 and a molecular weight of 2159.36 g/mol. Its IUPAC name is [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 158342870
• Molecular Formula: C108H133N20O28+5
• Molecular Weight: 2159.36 g/mol
• Exact Mass: 2157.96
• IUPAC Name: [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: CC(C)(C)OC(=O)NC(Cc1ccc(OCCCN=[N+]=[N-])cc1)C(=O)OCOC(=O)C(Cc1ccc(OCCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCOC(=O)C([NH3+])Cc1ccc(OCc2ccccc2)cc1.[N-]=[N+]=NCOc1ccc(CC([NH3+])C(=O)OCOC(=O)C([NH3+])Cc2ccc(OCN=[N+]=[N-])cc2)cc1.[NH3+]C(Cc1ccc(O)cc1)C(=O)OCOC(=O)C([NH3+])Cc1ccc(O)cc1
• InChI: InChI=1S/C35H48N8O10.C33H34N2O6.C21H24N8O6.C19H22N2O6/c1-34(2,3)52-32(46)40-28(21-24-9-13-26(14-10-24)48-19-7-17-38-42-36)30(44)50-23-51-31(45)29(41-33(47)53-35(4,5)6)22-25-11-15-27(16-12-25)49-20-8-18-39-43-37;34-30(19-24-11-15-28(16-12-24)38-21-26-7-3-1-4-8-26)32(36)40-23-41-33(37)31(35)20-25-13-17-29(18-14-25)39-22-27-9-5-2-6-10-27;22-18(9-14-1-5-16(6-2-14)32-11-26-28-24)20(30)34-13-35-21(31)19(23)10-15-3-7-17(8-4-15)33-12-27-29-25;20-16(9-12-1-5-14(22)6-2-12)18(24)26-11-27-19(25)17(21)10-13-3-7-15(23)8-4-13/h9-16,28-29H,7-8,17-23H2,1-6H3,(H,40,46)(H,41,47);1-18,30-31H,19-23,34-35H2;1-8,18-19H,9-13,22-23H2;1-8,16-17,22-23H,9-11,20-21H2/p+5
• InChIKey: GRJGPLATFYHITB-UHFFFAOYSA-S
• XLogP: 10.25
• TPSA: 742.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 56
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.36
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 158342870) is [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NC(Cc1ccc(OCCCN=[N+]=[N-])cc1)C(=O)OCOC(=O)C(Cc1ccc(OCCCN=[N+]=[N-])cc1)NC(=O)OC(C)(C)C.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCOC(=O)C([NH3+])Cc1ccc(OCc2ccccc2)cc1.[N-]=[N+]=NCOc1ccc(CC([NH3+])C(=O)OCOC(=O)C([NH3+])Cc2ccc(OCN=[N+]=[N-])cc2)cc1.[NH3+]C(Cc1ccc(O)cc1)C(=O)OCOC(=O)C([NH3+])Cc1ccc(O)cc1.

What is the InChIKey of [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is GRJGPLATFYHITB-UHFFFAOYSA-S. The full InChI is InChI=1S/C35H48N8O10.C33H34N2O6.C21H24N8O6.C19H22N2O6/c1-34(2,3)52-32(46)40-28(21-24-9-13-26(14-10-24)48-19-7-17-38-42-36)30(44)50-23-51-31(45)29(41-33(47)53-35(4,5)6)22-25-11-15-27(16-12-25)49-20-8-18-39-43-37;34-30(19-24-11-15-28(16-12-24)38-21-26-7-3-1-4-8-26)32(36)40-23-41-33(37)31(35)20-25-13-17-29(18-14-25)39-22-27-9-5-2-6-10-27;22-18(9-14-1-5-16(6-2-14)32-11-26-28-24)20(30)34-13-35-21(31)19(23)10-15-3-7-17(8-4-15)33-12-27-29-25;20-16(9-12-1-5-14(22)6-2-12)18(24)26-11-27-19(25)17(21)10-13-3-7-15(23)8-4-13/h9-16,28-29H,7-8,17-23H2,1-6H3,(H,40,46)(H,41,47);1-18,30-31H,19-23,34-35H2;1-8,18-19H,9-13,22-23H2;1-8,16-17,22-23H,9-11,20-21H2/p+5.

What are the key properties of [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

[1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 2159.36 g/mol, XLogP of 10.25, 56 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]oxymethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium;[1-[[2-azaniumyl-3-[4-(azidomethoxy)phenyl]propanoyl]oxymethoxy]-3-[4-(azidomethoxy)phenyl]-1-oxopropan-2-yl]azanium;[1-[[2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]oxymethoxy]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium;[3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl 3-[4-(3-azidopropoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 158342870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).