2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium

C36H53N5O4S2UVW-2 — CID 59197803

About 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium

2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium (PubChem CID 59197803) has the molecular formula C36H53N5O4S2UVW-2 and a molecular weight of 1158.81 g/mol. Its IUPAC name is 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
• PubChem CID: 59197803
• Molecular Formula: C36H53N5O4S2UVW-2
• Molecular Weight: 1158.81 g/mol
• Exact Mass: 1158.31
• IUPAC Name: 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
• SMILES: [3H]c1[c-]cc(CC(CC(C)C(C)=O)NC(=O)c2csc([CH-]CC(C(C)C)N(C)C(=O)C(NC(=O)C3CCCN3C)C(C)CC)n2)cc1S.[U].[V].[W]
• InChI: InChI=1S/C36H53N5O4S2.U.V.W/c1-9-23(4)33(39-35(44)31-14-11-17-40(31)7)36(45)41(8)30(22(2)3)15-16-32-38-29(21-47-32)34(43)37-27(18-24(5)25(6)42)19-26-12-10-13-28(46)20-26;;;/h12-13,16,20-24,27,30-31,33,46H,9,11,14-15,17-19H2,1-8H3,(H,37,43)(H,39,44);;;/q-2;;;/i13T
• InChIKey: ZLEWOXMDMGGYNI-FLGCIWHXSA-N
• XLogP: 5.23
• TPSA: 111.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.81
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium?

The IUPAC name of 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium (CID 59197803) is 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium.

What is the SMILES notation for 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium?

The canonical SMILES for 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium is [3H]c1[c-]cc(CC(CC(C)C(C)=O)NC(=O)c2csc([CH-]CC(C(C)C)N(C)C(=O)C(NC(=O)C3CCCN3C)C(C)CC)n2)cc1S.[U].[V].[W].

What is the InChIKey of 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium?

The InChIKey is ZLEWOXMDMGGYNI-FLGCIWHXSA-N. The full InChI is InChI=1S/C36H53N5O4S2.U.V.W/c1-9-23(4)33(39-35(44)31-14-11-17-40(31)7)36(45)41(8)30(22(2)3)15-16-32-38-29(21-47-32)34(43)37-27(18-24(5)25(6)42)19-26-12-10-13-28(46)20-26;;;/h12-13,16,20-24,27,30-31,33,46H,9,11,14-15,17-19H2,1-8H3,(H,37,43)(H,39,44);;;/q-2;;;/i13T;;;.

What are the key properties of 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium?

2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium has a molecular weight of 1158.81 g/mol, XLogP of 5.23, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium is sourced from PubChem (CID 59197803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).