[(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate

C34H50N4O6 — CID 58604824

About [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate

[(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate (PubChem CID 58604824) has the molecular formula C34H50N4O6 and a molecular weight of 610.80 g/mol. Its IUPAC name is [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
• PubChem CID: 58604824
• Molecular Formula: C34H50N4O6
• Molecular Weight: 610.80 g/mol
• Exact Mass: 610.37
• IUPAC Name: [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate
• SMILES: CC1(C)C2CN(C(=O)[C@@H](NC(=O)O[C@H]3CC4CC5C[C@@]5(C4)C3)C3CCCCC3)[C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)C21
• InChI: InChI=1S/C34H50N4O6/c1-33(2)23-17-38(27(25(23)33)30(41)36-24(28(39)29(35)40)13-18-7-6-8-18)31(42)26(20-9-4-3-5-10-20)37-32(43)44-22-12-19-11-21-15-34(21,14-19)16-22/h18-27H,3-17H2,1-2H3,(H2,35,40)(H,36,41)(H,37,43)/t19?,21?,22-,23?,24?,25?,26-,27-,34-/m0/s1
• InChIKey: LAOLSJIYZGGFRM-UZOBLZDISA-N
• XLogP: 3.45
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.80
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The IUPAC name of [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate (CID 58604824) is [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate.

What is the SMILES notation for [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The canonical SMILES for [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate is CC1(C)C2CN(C(=O)[C@@H](NC(=O)O[C@H]3CC4CC5C[C@@]5(C4)C3)C3CCCCC3)[C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)C21.

What is the InChIKey of [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

The InChIKey is LAOLSJIYZGGFRM-UZOBLZDISA-N. The full InChI is InChI=1S/C34H50N4O6/c1-33(2)23-17-38(27(25(23)33)30(41)36-24(28(39)29(35)40)13-18-7-6-8-18)31(42)26(20-9-4-3-5-10-20)37-32(43)44-22-12-19-11-21-15-34(21,14-19)16-22/h18-27H,3-17H2,1-2H3,(H2,35,40)(H,36,41)(H,37,43)/t19?,21?,22-,23?,24?,25?,26-,27-,34-/m0/s1.

What are the key properties of [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate?

[(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate has a molecular weight of 610.80 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,7S)-7-tricyclo[3.3.1.01,3]nonanyl] N-[(1S)-2-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate is sourced from PubChem (CID 58604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).