N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide

C36H56N6O6 — CID 143356755

About N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 143356755) has the molecular formula C36H56N6O6 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide
• PubChem CID: 143356755
• Molecular Formula: C36H56N6O6
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.43
• IUPAC Name: N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide
• SMILES: CC(NC(=O)C1C(C(C)C)C(C)CN1C(=O)C(NC(=O)NC(C(=O)N(C)Cc1ccccc1)C(C)(C)C)C1CCCCC1)C(=O)C(N)=O
• InChI: InChI=1S/C36H56N6O6/c1-21(2)26-22(3)19-42(28(26)32(45)38-23(4)29(43)31(37)44)33(46)27(25-17-13-10-14-18-25)39-35(48)40-30(36(5,6)7)34(47)41(8)20-24-15-11-9-12-16-24/h9,11-12,15-16,21-23,25-28,30H,10,13-14,17-20H2,1-8H3,(H2,37,44)(H,38,45)(H2,39,40,48)
• InChIKey: UFQPSWNEDGGHKT-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 171.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide (CID 143356755) is N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide is CC(NC(=O)C1C(C(C)C)C(C)CN1C(=O)C(NC(=O)NC(C(=O)N(C)Cc1ccccc1)C(C)(C)C)C1CCCCC1)C(=O)C(N)=O.

What is the InChIKey of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide?

The InChIKey is UFQPSWNEDGGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56N6O6/c1-21(2)26-22(3)19-42(28(26)32(45)38-23(4)29(43)31(37)44)33(46)27(25-17-13-10-14-18-25)39-35(48)40-30(36(5,6)7)34(47)41(8)20-24-15-11-9-12-16-24/h9,11-12,15-16,21-23,25-28,30H,10,13-14,17-20H2,1-8H3,(H2,37,44)(H,38,45)(H2,39,40,48).

What are the key properties of N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide?

N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 668.88 g/mol, XLogP of 2.99, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[1-[benzyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-2-cyclohexylacetyl]-4-methyl-3-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143356755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).