N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane

C33H64N6O6S — CID 143358295

About N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane (PubChem CID 143358295) has the molecular formula C33H64N6O6S and a molecular weight of 672.98 g/mol. Its IUPAC name is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane
• PubChem CID: 143358295
• Molecular Formula: C33H64N6O6S
• Molecular Weight: 672.98 g/mol
• Exact Mass: 672.46
• IUPAC Name: N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane
• SMILES: CC.CC(C)(C)NC(=O)CNC(=O)N[C@H](C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C.CC(C)C.CS
• InChI: InChI=1S/C26H44N6O6.C4H10.C2H6.CH4S/c1-25(2,3)20(30-24(38)28-14-18(33)31-26(4,5)6)23(37)32-12-8-11-17(32)22(36)29-16(19(34)21(27)35)13-15-9-7-10-15;1-4(2)3;2*1-2/h15-17,20H,7-14H2,1-6H3,(H2,27,35)(H,29,36)(H,31,33)(H2,28,30,38);4H,1-3H3;1-2H3;2H,1H3/t16?,17?,20-;;;/m1.../s1
• InChIKey: AGWPRUHCSFOSMR-HYUWITHGSA-N
• XLogP: 3.57
• TPSA: 179.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.98
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane?

The IUPAC name of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane (CID 143358295) is N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane.

What is the SMILES notation for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane?

The canonical SMILES for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane is CC.CC(C)(C)NC(=O)CNC(=O)N[C@H](C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C.CC(C)C.CS.

What is the InChIKey of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane?

The InChIKey is AGWPRUHCSFOSMR-HYUWITHGSA-N. The full InChI is InChI=1S/C26H44N6O6.C4H10.C2H6.CH4S/c1-25(2,3)20(30-24(38)28-14-18(33)31-26(4,5)6)23(37)32-12-8-11-17(32)22(36)29-16(19(34)21(27)35)13-15-9-7-10-15;1-4(2)3;2*1-2/h15-17,20H,7-14H2,1-6H3,(H2,27,35)(H,29,36)(H,31,33)(H2,28,30,38);4H,1-3H3;1-2H3;2H,1H3/t16?,17?,20-;;;/m1.../s1.

What are the key properties of N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane?

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane has a molecular weight of 672.98 g/mol, XLogP of 3.57, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane is sourced from PubChem (CID 143358295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).