2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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

C37H55N5O4S2UVW-2 — CID 59197772

About 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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 59197772) has the molecular formula C37H55N5O4S2UVW-2 and a molecular weight of 1172.83 g/mol. Its IUPAC name is 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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: 59197772
• Molecular Formula: C37H55N5O4S2UVW-2
• Molecular Weight: 1172.83 g/mol
• Exact Mass: 1172.32
• IUPAC Name: 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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(CC)C(=O)C(NC(=O)C3CCCN3C)C(C)CC)n2)cc1S.[U].[V].[W]
• InChI: InChI=1S/C37H55N5O4S2.U.V.W/c1-9-24(5)34(40-36(45)32-15-12-18-41(32)8)37(46)42(10-2)31(23(3)4)16-17-33-39-30(22-48-33)35(44)38-28(19-25(6)26(7)43)20-27-13-11-14-29(47)21-27;;;/h13-14,17,21-25,28,31-32,34,47H,9-10,12,15-16,18-20H2,1-8H3,(H,38,44)(H,40,45);;;/q-2;;;/i14T
• InChIKey: WFFWUEXFBNVBOD-VBZSJCAVSA-N
• XLogP: 5.62
• TPSA: 111.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.83
LogP ≤ 5	5.62
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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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 59197772) is 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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(CC)C(=O)C(NC(=O)C3CCCN3C)C(C)CC)n2)cc1S.[U].[V].[W].

What is the InChIKey of 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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 WFFWUEXFBNVBOD-VBZSJCAVSA-N. The full InChI is InChI=1S/C37H55N5O4S2.U.V.W/c1-9-24(5)34(40-36(45)32-15-12-18-41(32)8)37(46)42(10-2)31(23(3)4)16-17-33-39-30(22-48-33)35(44)38-28(19-25(6)26(7)43)20-27-13-11-14-29(47)21-27;;;/h13-14,17,21-25,28,31-32,34,47H,9-10,12,15-16,18-20H2,1-8H3,(H,38,44)(H,40,45);;;/q-2;;;/i14T;;;.

What are the key properties of 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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 1172.83 g/mol, XLogP of 5.62, 18 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-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 59197772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).