2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid

C32H43N9O5S4 — CID 101259997

About 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid

2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 101259997) has the molecular formula C32H43N9O5S4 and a molecular weight of 762.02 g/mol. Its IUPAC name is 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 101259997
• Molecular Formula: C32H43N9O5S4
• Molecular Weight: 762.02 g/mol
• Exact Mass: 761.23
• IUPAC Name: 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
• SMILES: CC(C)[C@H](NC(=O)c1csc([C@H](NC(=O)c2csc([C@@H](NC(=O)c3csc([C@H](NN)C(C)C)n3)C(C)C)n2)C(C)C)n1)c1nc(C(=O)O)cs1
• InChI: InChI=1S/C32H43N9O5S4/c1-13(2)21(28-35-18(10-48-28)26(43)40-23(15(5)6)30-37-20(12-50-30)32(45)46)38-25(42)17-9-47-29(34-17)22(14(3)4)39-27(44)19-11-49-31(36-19)24(41-33)16(7)8/h9-16,21-24,41H,33H2,1-8H3,(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t21-,22+,23+,24-/m1/s1
• InChIKey: QIONURZGEIACKA-NAVOZUGXSA-N
• XLogP: 5.75
• TPSA: 214.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	762.02
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid (CID 101259997) is 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid is CC(C)[C@H](NC(=O)c1csc([C@H](NC(=O)c2csc([C@@H](NC(=O)c3csc([C@H](NN)C(C)C)n3)C(C)C)n2)C(C)C)n1)c1nc(C(=O)O)cs1.

What is the InChIKey of 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is QIONURZGEIACKA-NAVOZUGXSA-N. The full InChI is InChI=1S/C32H43N9O5S4/c1-13(2)21(28-35-18(10-48-28)26(43)40-23(15(5)6)30-37-20(12-50-30)32(45)46)38-25(42)17-9-47-29(34-17)22(14(3)4)39-27(44)19-11-49-31(36-19)24(41-33)16(7)8/h9-16,21-24,41H,33H2,1-8H3,(H,38,42)(H,39,44)(H,40,43)(H,45,46)/t21-,22+,23+,24-/m1/s1.

What are the key properties of 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid?

2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 762.02 g/mol, XLogP of 5.75, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 101259997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).