2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione

C77H106F2N14O25 — CID 161060614

About 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione

2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 161060614) has the molecular formula C77H106F2N14O25 and a molecular weight of 1665.76 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

• Compound Name: 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione
• PubChem CID: 161060614
• Molecular Formula: C77H106F2N14O25
• Molecular Weight: 1665.76 g/mol
• Exact Mass: 1664.74
• IUPAC Name: 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione
• SMILES: CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)C[C@@H]1NC(=O)OC1=O.CC(C)C[C@H]1NC(=O)OC1=O.O=C([O-])C(F)F.O=C1N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O1.[N-]=[N+]=NCCOCCO[NH3+]
• InChI: InChI=1S/C38H55N7O9.C17H15NO4.C9H13NO5.C7H11NO3.C4H11N4O2.C2H2F2O2/c1-26(2)22-31(43-37(50)32(42-27(3)46)23-28-12-14-30(15-13-28)53-25-29-10-8-7-9-11-29)36(49)44-33(24-34(47)54-38(4,5)6)35(48)40-16-18-51-20-21-52-19-17-41-45-39;19-16-15(18-17(20)22-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13;1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5;1-4(2)3-5-6(9)11-7(10)8-5;5-8-7-1-2-9-3-4-10-6;3-1(4)2(5)6/h7-15,26,31-33H,16-25H2,1-6H3,(H,40,48)(H,42,46)(H,43,50)(H,44,49);1-9,15H,10-11H2,(H,18,20);5H,4H2,1-3H3,(H,10,13);4-5H,3H2,1-2H3,(H,8,10);1-4H2,6H3;1H,(H,5,6)/q;;;;+1;/p-1/t31-,32+,33+;15-;2*5-;;/m1001../s1
• InChIKey: UDIOGXHHVMYZIK-MRMDCLJVSA-M
• XLogP: 5.47
• TPSA: 555.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.76
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione?

The IUPAC name of 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione (CID 161060614) is 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione.

What is the SMILES notation for 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione?

The canonical SMILES for 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione is CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)C[C@@H]1NC(=O)OC1=O.CC(C)C[C@H]1NC(=O)OC1=O.O=C([O-])C(F)F.O=C1N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O1.[N-]=[N+]=NCCOCCO[NH3+].

What is the InChIKey of 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione?

The InChIKey is UDIOGXHHVMYZIK-MRMDCLJVSA-M. The full InChI is InChI=1S/C38H55N7O9.C17H15NO4.C9H13NO5.C7H11NO3.C4H11N4O2.C2H2F2O2/c1-26(2)22-31(43-37(50)32(42-27(3)46)23-28-12-14-30(15-13-28)53-25-29-10-8-7-9-11-29)36(49)44-33(24-34(47)54-38(4,5)6)35(48)40-16-18-51-20-21-52-19-17-41-45-39;19-16-15(18-17(20)22-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13;1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5;1-4(2)3-5-6(9)11-7(10)8-5;5-8-7-1-2-9-3-4-10-6;3-1(4)2(5)6/h7-15,26,31-33H,16-25H2,1-6H3,(H,40,48)(H,42,46)(H,43,50)(H,44,49);1-9,15H,10-11H2,(H,18,20);5H,4H2,1-3H3,(H,10,13);4-5H,3H2,1-2H3,(H,8,10);1-4H2,6H3;1H,(H,5,6)/q;;;;+1;/p-1/t31-,32+,33+;15-;2*5-;;/m1001../s1.

What are the key properties of 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione?

2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 1665.76 g/mol, XLogP of 5.47, 40 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-azidoethoxy)ethoxyazanium;tert-butyl (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate;tert-butyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate;2,2-difluoroacetate;(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione;(4S)-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 161060614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).