methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate

C27H36N6O7S2 — CID 11365577

About methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate (PubChem CID 11365577) has the molecular formula C27H36N6O7S2 and a molecular weight of 620.75 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate
• PubChem CID: 11365577
• Molecular Formula: C27H36N6O7S2
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.21
• IUPAC Name: methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate
• SMILES: COC(=O)c1nc([C@@H](C)NC(=O)c2csc([C@@H](C)NC(=O)c3csc([C@H](NC(=O)OC(C)(C)C)C(C)C)n3)n2)oc1C
• InChI: InChI=1S/C27H36N6O7S2/c1-12(2)18(33-26(37)40-27(6,7)8)24-31-17(11-42-24)21(35)29-14(4)23-30-16(10-41-23)20(34)28-13(3)22-32-19(15(5)39-22)25(36)38-9/h10-14,18H,1-9H3,(H,28,34)(H,29,35)(H,33,37)/t13-,14-,18-/m1/s1
• InChIKey: YENOCQKSTOHKRW-HBUWYVDXSA-N
• XLogP: 4.89
• TPSA: 174.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.75
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate?

The IUPAC name of methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate (CID 11365577) is methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate is COC(=O)c1nc([C@@H](C)NC(=O)c2csc([C@@H](C)NC(=O)c3csc([C@H](NC(=O)OC(C)(C)C)C(C)C)n3)n2)oc1C.

What is the InChIKey of methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate?

The InChIKey is YENOCQKSTOHKRW-HBUWYVDXSA-N. The full InChI is InChI=1S/C27H36N6O7S2/c1-12(2)18(33-26(37)40-27(6,7)8)24-31-17(11-42-24)21(35)29-14(4)23-30-16(10-41-23)20(34)28-13(3)22-32-19(15(5)39-22)25(36)38-9/h10-14,18H,1-9H3,(H,28,34)(H,29,35)(H,33,37)/t13-,14-,18-/m1/s1.

What are the key properties of methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate?

methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 620.75 g/mol, XLogP of 4.89, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-methyl-2-[(1R)-1-[[2-[(1R)-1-[[2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11365577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).