2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate

C33H58N6O8 — CID 6481511

About 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate

2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate (PubChem CID 6481511) has the molecular formula C33H58N6O8 and a molecular weight of 666.86 g/mol. Its IUPAC name is 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
• PubChem CID: 6481511
• Molecular Formula: C33H58N6O8
• Molecular Weight: 666.86 g/mol
• Exact Mass: 666.43
• IUPAC Name: 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
• SMILES: CCCC[C@H](NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(N)=O
• InChI: InChI=1S/C33H58N6O8/c1-7-9-16-24(29(34)42)36-26(40)18-35-32(45)28(41)23(13-8-2)37-30(43)25(17-20(3)4)38-31(44)27(22-14-11-10-12-15-22)39-33(46)47-19-21(5)6/h20-25,27H,7-19H2,1-6H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,43)(H,38,44)(H,39,46)/t23?,24-,25-,27-/m0/s1
• InChIKey: AMZVJVVJPNSWAD-LYHPAYDUSA-N
• XLogP: 1.98
• TPSA: 214.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.86
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?

The IUPAC name of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate (CID 6481511) is 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate is CCCC[C@H](NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(N)=O.

What is the InChIKey of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?

The InChIKey is AMZVJVVJPNSWAD-LYHPAYDUSA-N. The full InChI is InChI=1S/C33H58N6O8/c1-7-9-16-24(29(34)42)36-26(40)18-35-32(45)28(41)23(13-8-2)37-30(43)25(17-20(3)4)38-31(44)27(22-14-11-10-12-15-22)39-33(46)47-19-21(5)6/h20-25,27H,7-19H2,1-6H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,43)(H,38,44)(H,39,46)/t23?,24-,25-,27-/m0/s1.

What are the key properties of 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate?

2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate has a molecular weight of 666.86 g/mol, XLogP of 1.98, 21 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate is sourced from PubChem (CID 6481511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).