tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate

C33H47N5O10SSi — CID 173407251

About tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate

tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate (PubChem CID 173407251) has the molecular formula C33H47N5O10SSi and a molecular weight of 733.92 g/mol. Its IUPAC name is tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate.

Molecular Properties

• Compound Name: tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate
• PubChem CID: 173407251
• Molecular Formula: C33H47N5O10SSi
• Molecular Weight: 733.92 g/mol
• Exact Mass: 733.28
• IUPAC Name: tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate
• SMILES: CC(C)C(C)(C)[SiH2]N1C(=O)C(NC(=O)/C(=N\OCC(=O)OC(C)(C)C)c2csc(NC(=O)OC(C)(C)C)n2)C1COC(=O)Oc1ccccc1
• InChI: InChI=1S/C33H47N5O10SSi/c1-19(2)33(9,10)50-38-22(16-44-30(43)46-20-14-12-11-13-15-20)25(27(38)41)35-26(40)24(37-45-17-23(39)47-31(3,4)5)21-18-49-28(34-21)36-29(42)48-32(6,7)8/h11-15,18-19,22,25H,16-17,50H2,1-10H3,(H,35,40)(H,34,36,42)/b37-24-
• InChIKey: ZDKXEICZQWSIMZ-PNEAAFPUSA-N
• XLogP: 4.40
• TPSA: 184.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.92
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate?

The IUPAC name of tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate (CID 173407251) is tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate.

What is the SMILES notation for tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate?

The canonical SMILES for tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate is CC(C)C(C)(C)[SiH2]N1C(=O)C(NC(=O)/C(=N\OCC(=O)OC(C)(C)C)c2csc(NC(=O)OC(C)(C)C)n2)C1COC(=O)Oc1ccccc1.

What is the InChIKey of tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate?

The InChIKey is ZDKXEICZQWSIMZ-PNEAAFPUSA-N. The full InChI is InChI=1S/C33H47N5O10SSi/c1-19(2)33(9,10)50-38-22(16-44-30(43)46-20-14-12-11-13-15-20)25(27(38)41)35-26(40)24(37-45-17-23(39)47-31(3,4)5)21-18-49-28(34-21)36-29(42)48-32(6,7)8/h11-15,18-19,22,25H,16-17,50H2,1-10H3,(H,35,40)(H,34,36,42)/b37-24-.

What are the key properties of tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate?

tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate has a molecular weight of 733.92 g/mol, XLogP of 4.40, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(Z)-[2-[[1-(2,3-dimethylbutan-2-ylsilyl)-2-oxo-4-(phenoxycarbonyloxymethyl)azetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxyacetate is sourced from PubChem (CID 173407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).