furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

C34H51N5O8 — CID 143360384

About furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 143360384) has the molecular formula C34H51N5O8 and a molecular weight of 657.81 g/mol. Its IUPAC name is furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
• PubChem CID: 143360384
• Molecular Formula: C34H51N5O8
• Molecular Weight: 657.81 g/mol
• Exact Mass: 657.37
• IUPAC Name: furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
• SMILES: CC(C)[C@H]1CCN(C(=O)[C@@H](NC(=O)NC2(C(=O)OCc3ccco3)CCCCC2)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O
• InChI: InChI=1S/C34H51N5O8/c1-20(2)23-13-16-39(25(23)29(42)36-24(18-21-11-12-21)26(40)28(35)41)30(43)27(33(3,4)5)37-32(45)38-34(14-7-6-8-15-34)31(44)47-19-22-10-9-17-46-22/h9-10,17,20-21,23-25,27H,6-8,11-16,18-19H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,45)/t23-,24?,25+,27-/m1/s1
• InChIKey: HTOVRIKFIGTELN-MKGCLCFSSA-N
• XLogP: 2.95
• TPSA: 190.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.81
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The IUPAC name of furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (CID 143360384) is furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.

What is the SMILES notation for furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The canonical SMILES for furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is CC(C)[C@H]1CCN(C(=O)[C@@H](NC(=O)NC2(C(=O)OCc3ccco3)CCCCC2)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O.

What is the InChIKey of furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The InChIKey is HTOVRIKFIGTELN-MKGCLCFSSA-N. The full InChI is InChI=1S/C34H51N5O8/c1-20(2)23-13-16-39(25(23)29(42)36-24(18-21-11-12-21)26(40)28(35)41)30(43)27(33(3,4)5)37-32(45)38-34(14-7-6-8-15-34)31(44)47-19-22-10-9-17-46-22/h9-10,17,20-21,23-25,27H,6-8,11-16,18-19H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,45)/t23-,24?,25+,27-/m1/s1.

What are the key properties of furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 657.81 g/mol, XLogP of 2.95, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 143360384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).