2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid

C23H29N5O7S — CID 11734056

About 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid

2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 11734056) has the molecular formula C23H29N5O7S and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid
• PubChem CID: 11734056
• Molecular Formula: C23H29N5O7S
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.18
• IUPAC Name: 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid
• SMILES: Cc1oc(-c2csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n2)nc1C(=O)N[C@@H](C)c1nc(C(=O)O)co1
• InChI: InChI=1S/C23H29N5O7S/c1-10(2)15(28-22(32)35-23(5,6)7)20-26-14(9-36-20)19-27-16(12(4)34-19)17(29)24-11(3)18-25-13(8-33-18)21(30)31/h8-11,15H,1-7H3,(H,24,29)(H,28,32)(H,30,31)/t11-,15-/m0/s1
• InChIKey: NZKKLOBZMCEKCA-NHYWBVRUSA-N
• XLogP: 4.51
• TPSA: 169.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid?

The IUPAC name of 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid (CID 11734056) is 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid.

What is the SMILES notation for 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid?

The canonical SMILES for 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n2)nc1C(=O)N[C@@H](C)c1nc(C(=O)O)co1.

What is the InChIKey of 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid?

The InChIKey is NZKKLOBZMCEKCA-NHYWBVRUSA-N. The full InChI is InChI=1S/C23H29N5O7S/c1-10(2)15(28-22(32)35-23(5,6)7)20-26-14(9-36-20)19-27-16(12(4)34-19)17(29)24-11(3)18-25-13(8-33-18)21(30)31/h8-11,15H,1-7H3,(H,24,29)(H,28,32)(H,30,31)/t11-,15-/m0/s1.

What are the key properties of 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid?

2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 519.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[[5-methyl-2-[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 11734056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).