[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate

C32H44N4O6 — CID 58807879

About [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate

[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate (PubChem CID 58807879) has the molecular formula C32H44N4O6 and a molecular weight of 580.73 g/mol. Its IUPAC name is [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
• PubChem CID: 58807879
• Molecular Formula: C32H44N4O6
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.33
• IUPAC Name: [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
• SMILES: CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1
• InChI: InChI=1S/C32H44N4O6/c1-16(2)17(3)42-31(41)35-25(21-13-19-8-6-7-9-20(19)14-21)30(40)36-15-22-24(32(22,4)5)26(36)29(39)34-23(12-18-10-11-18)27(37)28(33)38/h6-9,16-18,21-26H,10-15H2,1-5H3,(H2,33,38)(H,34,39)(H,35,41)/t17-,22+,23+,24+,25+,26+/m1/s1
• InChIKey: NYTXRPUNNBHTTP-LEROROTBSA-N
• XLogP: 2.36
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	2.36
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 [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?

The IUPAC name of [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate (CID 58807879) is [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate.

What is the SMILES notation for [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?

The canonical SMILES for [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate is CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CC1)C(=O)C(N)=O)C2(C)C)C1Cc2ccccc2C1.

What is the InChIKey of [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?

The InChIKey is NYTXRPUNNBHTTP-LEROROTBSA-N. The full InChI is InChI=1S/C32H44N4O6/c1-16(2)17(3)42-31(41)35-25(21-13-19-8-6-7-9-20(19)14-21)30(40)36-15-22-24(32(22,4)5)26(36)29(39)34-23(12-18-10-11-18)27(37)28(33)38/h6-9,16-18,21-26H,10-15H2,1-5H3,(H2,33,38)(H,34,39)(H,35,41)/t17-,22+,23+,24+,25+,26+/m1/s1.

What are the key properties of [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate?

[(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate has a molecular weight of 580.73 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-methylbutan-2-yl] N-[(1S)-2-[(1R,2S,5S)-2-[[(2S)-4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 58807879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).