2-[4-methyl-3-[[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

C35H51N5O4S2UVW-2 — CID 59197826

About 2-[4-methyl-3-[[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-[[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 59197826) has the molecular formula C35H51N5O4S2UVW-2 and a molecular weight of 1144.78 g/mol. Its IUPAC name is 2-[4-methyl-3-[[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-[[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: 59197826
• Molecular Formula: C35H51N5O4S2UVW-2
• Molecular Weight: 1144.78 g/mol
• Exact Mass: 1144.29
• IUPAC Name: 2-[4-methyl-3-[[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(NC(=O)C(NC(=O)C3CCCN3C)C(C)CC)C(C)C)n2)cc1S.[U].[V].[W]
• InChI: InChI=1S/C35H51N5O4S2.U.V.W/c1-8-22(4)32(39-34(43)30-13-10-16-40(30)7)35(44)38-28(21(2)3)14-15-31-37-29(20-46-31)33(42)36-26(17-23(5)24(6)41)18-25-11-9-12-27(45)19-25;;;/h11-12,15,19-23,26,28,30,32,45H,8,10,13-14,16-18H2,1-7H3,(H,36,42)(H,38,44)(H,39,43);;;/q-2;;;/i12T
• InChIKey: RTQGHKSZIVGJKL-ZOFUXVSRSA-N
• XLogP: 4.89
• TPSA: 120.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1144.78
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	4
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-[[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-[[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 59197826) is 2-[4-methyl-3-[[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-[[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-[[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(NC(=O)C(NC(=O)C3CCCN3C)C(C)CC)C(C)C)n2)cc1S.[U].[V].[W].

What is the InChIKey of 2-[4-methyl-3-[[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 RTQGHKSZIVGJKL-ZOFUXVSRSA-N. The full InChI is InChI=1S/C35H51N5O4S2.U.V.W/c1-8-22(4)32(39-34(43)30-13-10-16-40(30)7)35(44)38-28(21(2)3)14-15-31-37-29(20-46-31)33(42)36-26(17-23(5)24(6)41)18-25-11-9-12-27(45)19-25;;;/h11-12,15,19-23,26,28,30,32,45H,8,10,13-14,16-18H2,1-7H3,(H,36,42)(H,38,44)(H,39,43);;;/q-2;;;/i12T;;;.

What are the key properties of 2-[4-methyl-3-[[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-[[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 1144.78 g/mol, XLogP of 4.89, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[[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 59197826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).