methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate

C38H70N6O9 — CID 46895723

About methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate

methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate (PubChem CID 46895723) has the molecular formula C38H70N6O9 and a molecular weight of 755.01 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
• PubChem CID: 46895723
• Molecular Formula: C38H70N6O9
• Molecular Weight: 755.01 g/mol
• Exact Mass: 754.52
• IUPAC Name: methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate
• SMILES: COC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C38H70N6O9/c1-21(2)17-25(29(45)39-28(20-24(7)8)32(48)44-38(14,15)34(50)52-16)41-33(49)37(12,13)43-31(47)27(19-23(5)6)40-30(46)26(18-22(3)4)42-35(51)53-36(9,10)11/h21-28H,17-20H2,1-16H3,(H,39,45)(H,40,46)(H,41,49)(H,42,51)(H,43,47)(H,44,48)/t25-,26+,27-,28+/m1/s1
• InChIKey: LJQFFOOOYCWKOF-GCFVYEKYSA-N
• XLogP: 3.48
• TPSA: 210.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.01
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?

The IUPAC name of methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate (CID 46895723) is methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate.

What is the SMILES notation for methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?

The canonical SMILES for methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?

The InChIKey is LJQFFOOOYCWKOF-GCFVYEKYSA-N. The full InChI is InChI=1S/C38H70N6O9/c1-21(2)17-25(29(45)39-28(20-24(7)8)32(48)44-38(14,15)34(50)52-16)41-33(49)37(12,13)43-31(47)27(19-23(5)6)40-30(46)26(18-22(3)4)42-35(51)53-36(9,10)11/h21-28H,17-20H2,1-16H3,(H,39,45)(H,40,46)(H,41,49)(H,42,51)(H,43,47)(H,44,48)/t25-,26+,27-,28+/m1/s1.

What are the key properties of methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate?

methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate has a molecular weight of 755.01 g/mol, XLogP of 3.48, 20 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2R)-4-methyl-2-[[2-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoate is sourced from PubChem (CID 46895723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).