2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C34H57N11O14 — CID 87758191

About 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 87758191) has the molecular formula C34H57N11O14 and a molecular weight of 843.89 g/mol. Its IUPAC name is 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• PubChem CID: 87758191
• Molecular Formula: C34H57N11O14
• Molecular Weight: 843.89 g/mol
• Exact Mass: 843.41
• IUPAC Name: 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
• SMILES: CC(NC(=O)CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)O
• InChI: InChI=1S/C34H57N11O14/c1-20(39-25(49)17-41(6)26(50)12-35-22(46)11-38-33(58)59-34(3,4)5)31(56)40-21(2)32(57)45(10)16-24(48)37-13-27(51)43(8)18-29(53)42(7)15-23(47)36-14-28(52)44(9)19-30(54)55/h20-21H,11-19H2,1-10H3,(H,35,46)(H,36,47)(H,37,48)(H,38,58)(H,39,49)(H,40,56)(H,54,55)
• InChIKey: DKNPHLUCXKLWGP-UHFFFAOYSA-N
• XLogP: -5.75
• TPSA: 322.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.89
LogP ≤ 5	-5.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 87758191) is 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is CC(NC(=O)CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)O.

What is the InChIKey of 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

The InChIKey is DKNPHLUCXKLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57N11O14/c1-20(39-25(49)17-41(6)26(50)12-35-22(46)11-38-33(58)59-34(3,4)5)31(56)40-21(2)32(57)45(10)16-24(48)37-13-27(51)43(8)18-29(53)42(7)15-23(47)36-14-28(52)44(9)19-30(54)55/h20-21H,11-19H2,1-10H3,(H,35,46)(H,36,47)(H,37,48)(H,38,58)(H,39,49)(H,40,56)(H,54,55).

What are the key properties of 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?

2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 843.89 g/mol, XLogP of -5.75, 22 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 87758191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).