[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C32H56N4O7Si — CID 58909075

About [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 58909075) has the molecular formula C32H56N4O7Si and a molecular weight of 636.91 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 58909075
• Molecular Formula: C32H56N4O7Si
• Molecular Weight: 636.91 g/mol
• Exact Mass: 636.39
• IUPAC Name: [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)(CO[Si](C)(C)C(C)(C)C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
• InChI: InChI=1S/C32H56N4O7Si/c1-29(2,3)24(35-28(41)43-31(7,8)17-42-44(11,12)30(4,5)6)27(40)36-16-19-21(32(19,9)10)22(36)26(39)34-20(15-18-13-14-18)23(37)25(33)38/h18-22,24H,13-17H2,1-12H3,(H2,33,38)(H,34,39)(H,35,41)/t19-,20?,21-,22-,24+/m0/s1
• InChIKey: DIBPAPCRIRAHOB-WVASEHPASA-N
• XLogP: 3.75
• TPSA: 157.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.91
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 58909075) is [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC(C)(CO[Si](C)(C)C(C)(C)C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C.

What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is DIBPAPCRIRAHOB-WVASEHPASA-N. The full InChI is InChI=1S/C32H56N4O7Si/c1-29(2,3)24(35-28(41)43-31(7,8)17-42-44(11,12)30(4,5)6)27(40)36-16-19-21(32(19,9)10)22(36)26(39)34-20(15-18-13-14-18)23(37)25(33)38/h18-22,24H,13-17H2,1-12H3,(H2,33,38)(H,34,39)(H,35,41)/t19-,20?,21-,22-,24+/m0/s1.

What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 636.91 g/mol, XLogP of 3.75, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] N-[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58909075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).