[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate

C81H116N4O18 — CID 160572131

About [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate

[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate (PubChem CID 160572131) has the molecular formula C81H116N4O18 and a molecular weight of 1433.83 g/mol. Its IUPAC name is [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate.

Molecular Properties

• Compound Name: [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate
• PubChem CID: 160572131
• Molecular Formula: C81H116N4O18
• Molecular Weight: 1433.83 g/mol
• Exact Mass: 1432.83
• IUPAC Name: [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate
• SMILES: CC(C)C[C@@H](C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)OCc1ccccc1)N(C)C(=O)OC(C)(C)C.CN[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)OCc1ccccc1
• InChI: InChI=1S/C43H62N2O10.C38H54N2O8/c1-28(2)24-35(40(48)53-30(5)39(47)52-27-32-14-12-11-13-15-32)44(9)38(46)37(26-31-16-18-33(19-17-31)34-20-22-51-23-21-34)54-41(49)36(25-29(3)4)45(10)42(50)55-43(6,7)8;1-25(2)21-32(39-6)37(43)48-34(23-28-13-15-30(16-14-28)31-17-19-45-20-18-31)35(41)40(7)33(22-26(3)4)38(44)47-27(5)36(42)46-24-29-11-9-8-10-12-29/h11-19,28-30,34-37H,20-27H2,1-10H3;8-16,25-27,31-34,39H,17-24H2,1-7H3/t30-,35+,36+,37-;27-,32+,33+,34-/m11/s1
• InChIKey: RARKKAQDLFVKLN-FRWPTDIUSA-N
• XLogP: 12.08
• TPSA: 258.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 34
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.83
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate?

The IUPAC name of [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate (CID 160572131) is [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate.

What is the SMILES notation for [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate?

The canonical SMILES for [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate is CC(C)C[C@@H](C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)OCc1ccccc1)N(C)C(=O)OC(C)(C)C.CN[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)OCc1ccccc1.

What is the InChIKey of [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate?

The InChIKey is RARKKAQDLFVKLN-FRWPTDIUSA-N. The full InChI is InChI=1S/C43H62N2O10.C38H54N2O8/c1-28(2)24-35(40(48)53-30(5)39(47)52-27-32-14-12-11-13-15-32)44(9)38(46)37(26-31-16-18-33(19-17-31)34-20-22-51-23-21-34)54-41(49)36(25-29(3)4)45(10)42(50)55-43(6,7)8;1-25(2)21-32(39-6)37(43)48-34(23-28-13-15-30(16-14-28)31-17-19-45-20-18-31)35(41)40(7)33(22-26(3)4)38(44)47-27(5)36(42)46-24-29-11-9-8-10-12-29/h11-19,28-30,34-37H,20-27H2,1-10H3;8-16,25-27,31-34,39H,17-24H2,1-7H3/t30-,35+,36+,37-;27-,32+,33+,34-/m11/s1.

What are the key properties of [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate?

[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate has a molecular weight of 1433.83 g/mol, XLogP of 12.08, 34 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate is sourced from PubChem (CID 160572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).