Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid

C₁₄₄H₂₈₂N₃₀O₂₄ — CID 159342798

About Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid

Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid (PubChem CID 159342798) has the molecular formula C₁₄₄H₂₈₂N₃₀O₂₄ and a molecular weight of 2884.52 g/mol. Its IUPAC name is butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid.

Molecular Properties

• Compound Name: Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid
• PubChem CID: 159342798
• Molecular Formula: C₁₄₄H₂₈₂N₃₀O₂₄
• Molecular Weight: 2884.52 g/mol
• Exact Mass: 2883.32
• IUPAC Name: butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid
• SMILES: CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2]N2[13CH2][13C](=O)[15NH]CCCC(=O)[15NH]CCCC(=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)NCC[13CH2][13C](=O)[15NH]CCCC(=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)[15NH]CCC[13C](=O)[15NH]CCC[13C](=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2[13CH2]C(=O)[15NH]C[13CH2][13CH2][13C](=O)NCCCC(=O)O)CC1.CN1CC[15N]([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)NCC[13CH2][13C](=O)NCCCC(=O)O)[13CH2][13CH2]1.CN1CC[15N]([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2[13CH2][13C](=O)NCC[13CH2]C(=O)NCC[13CH2]C(=O)O)CC1
• InChI: InChI=1S/6C20H37N5O4.6C4H10/c6*1-23-11-13-24(14-12-23)15-17-5-4-10-25(17)16-19(27)22-8-2-6-18(26)21-9-3-7-20(28)29;6*1-3-4-2/h6*17H,2-16H2,1H3,(H,21,26)(H,22,27)(H,28,29);6*3-4H2,1-2H3/i4+1,5+1,10+1,11+1,13+1,15+1,17+1,18+1,20+1,21+1,22+1,25+1;4+1,5+1,10+1,11+1,13+1,15+1,16+1,17+1,19+1,21+1,22+1;4+1,5+1,6+1,10+1,11+1,13+1,15+1,17+1,18+1,24+1,25+1;4+1,5+1,6+1,10+1,11+1,13+1,15+1,17+1,18+1,21+1,25+1;4+1,5+1,6+1,7+1,10+1,15+1,16+1,17+1,19+1,24+1,25+1;2+1,4+1,5+1,6+1,10+1,15+1,16+1,17+1,18+1,22+1,25+1
• InChIKey: LGINTVDFKAXABW-KIKOBLMTSA-N
• XLogP: 8.29
• TPSA: 631.32 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 36
• Rotatable Bonds: 78
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2884.52
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid?

The IUPAC name of Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid (CID 159342798) is butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid.

What is the SMILES notation for Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid?

The canonical SMILES for Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid is CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2]N2[13CH2][13C](=O)[15NH]CCCC(=O)[15NH]CCCC(=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)NCC[13CH2][13C](=O)[15NH]CCCC(=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)[15NH]CCC[13C](=O)[15NH]CCC[13C](=O)O)[13CH2][13CH2]1.CN1CCN([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2[13CH2]C(=O)[15NH]C[13CH2][13CH2][13C](=O)NCCCC(=O)O)CC1.CN1CC[15N]([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2CC(=O)NCC[13CH2][13C](=O)NCCCC(=O)O)[13CH2][13CH2]1.CN1CC[15N]([13CH2][13CH]2[13CH2][13CH2][13CH2][15N]2[13CH2][13C](=O)NCC[13CH2]C(=O)NCC[13CH2]C(=O)O)CC1.

What is the InChIKey of Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid?

The InChIKey is LGINTVDFKAXABW-KIKOBLMTSA-N. The full InChI is InChI=1S/6C20H37N5O4.6C4H10/c6*1-23-11-13-24(14-12-23)15-17-5-4-10-25(17)16-19(27)22-8-2-6-18(26)21-9-3-7-20(28)29;6*1-3-4-2/h6*17H,2-16H2,1H3,(H,21,26)(H,22,27)(H,28,29);6*3-4H2,1-2H3/i4+1,5+1,10+1,11+1,13+1,15+1,17+1,18+1,20+1,21+1,22+1,25+1;4+1,5+1,10+1,11+1,13+1,15+1,16+1,17+1,19+1,21+1,22+1;4+1,5+1,6+1,10+1,11+1,13+1,15+1,17+1,18+1,24+1,25+1;4+1,5+1,6+1,10+1,11+1,13+1,15+1,17+1,18+1,21+1,25+1;4+1,5+1,6+1,7+1,10+1,15+1,16+1,17+1,19+1,24+1,25+1;2+1,4+1,5+1,6+1,10+1,15+1,16+1,17+1,18+1,22+1,25+1;;;;;;.

What are the key properties of Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid?

Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid has a molecular weight of 2884.52 g/mol, XLogP of 8.29, 78 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for Butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid is sourced from PubChem (CID 159342798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159342798 — identifiers, structure, computed properties (public domain)

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