2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen

C36H77N5O7S — CID 144804423

About 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen

2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen (PubChem CID 144804423) has the molecular formula C36H77N5O7S and a molecular weight of 724.11 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen.

Molecular Properties

• Compound Name: 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen
• PubChem CID: 144804423
• Molecular Formula: C36H77N5O7S
• Molecular Weight: 724.11 g/mol
• Exact Mass: 723.55
• IUPAC Name: 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen
• SMILES: CCC(C)C(NC(=O)C(CCSC)NC(=O)OCC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)C(C)C)C(C)CC)C(C)C.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C36H67N5O7S.5H2/c1-14-24(11)29(34(45)37-27(18-20(3)4)31(42)23(9)10)41-33(44)28(22(7)8)39-35(46)30(25(12)15-2)40-32(43)26(16-17-49-13)38-36(47)48-19-21(5)6;;;;;/h20-30H,14-19H2,1-13H3,(H,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,44);5*1H
• InChIKey: XCNXNQDIVGAEJU-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 171.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.11
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen?

The IUPAC name of 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen (CID 144804423) is 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen.

What is the SMILES notation for 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen?

The canonical SMILES for 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen is CCC(C)C(NC(=O)C(CCSC)NC(=O)OCC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(=O)C(C)C)C(C)CC)C(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen?

The InChIKey is XCNXNQDIVGAEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67N5O7S.5H2/c1-14-24(11)29(34(45)37-27(18-20(3)4)31(42)23(9)10)41-33(44)28(22(7)8)39-35(46)30(25(12)15-2)40-32(43)26(16-17-49-13)38-36(47)48-19-21(5)6;;;;;/h20-30H,14-19H2,1-13H3,(H,37,45)(H,38,47)(H,39,46)(H,40,43)(H,41,44);5*1H.

What are the key properties of 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen?

2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen has a molecular weight of 724.11 g/mol, XLogP of 5.68, 23 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[1-[[1-[[1-[[1-[(2,6-dimethyl-3-oxoheptan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate;molecular hydrogen is sourced from PubChem (CID 144804423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).