[2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate

C35H54N6O7 — CID 143352000

About [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate

[2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate (PubChem CID 143352000) has the molecular formula C35H54N6O7 and a molecular weight of 670.85 g/mol. Its IUPAC name is [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate.

Molecular Properties

• Compound Name: [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate
• PubChem CID: 143352000
• Molecular Formula: C35H54N6O7
• Molecular Weight: 670.85 g/mol
• Exact Mass: 670.41
• IUPAC Name: [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate
• SMILES: CCCC(NC(=O)C1[C@@H](C(C)C)CCN1C(=O)C(NC(=O)NC(COC(=O)NCC)C(C)(C)C)C1Cc2ccccc2C1)C(=O)C(N)=O
• InChI: InChI=1S/C35H54N6O7/c1-8-12-25(29(42)30(36)43)38-31(44)28-24(20(3)4)15-16-41(28)32(45)27(23-17-21-13-10-11-14-22(21)18-23)40-33(46)39-26(35(5,6)7)19-48-34(47)37-9-2/h10-11,13-14,20,23-28H,8-9,12,15-19H2,1-7H3,(H2,36,43)(H,37,47)(H,38,44)(H2,39,40,46)/t24-,25?,26?,27?,28?/m1/s1
• InChIKey: ZAXLNXIMWZEDBK-KTTODTSBSA-N
• XLogP: 2.44
• TPSA: 189.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.85
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?

The IUPAC name of [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate (CID 143352000) is [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate.

What is the SMILES notation for [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?

The canonical SMILES for [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate is CCCC(NC(=O)C1[C@@H](C(C)C)CCN1C(=O)C(NC(=O)NC(COC(=O)NCC)C(C)(C)C)C1Cc2ccccc2C1)C(=O)C(N)=O.

What is the InChIKey of [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?

The InChIKey is ZAXLNXIMWZEDBK-KTTODTSBSA-N. The full InChI is InChI=1S/C35H54N6O7/c1-8-12-25(29(42)30(36)43)38-31(44)28-24(20(3)4)15-16-41(28)32(45)27(23-17-21-13-10-11-14-22(21)18-23)40-33(46)39-26(35(5,6)7)19-48-34(47)37-9-2/h10-11,13-14,20,23-28H,8-9,12,15-19H2,1-7H3,(H2,36,43)(H,37,47)(H,38,44)(H2,39,40,46)/t24-,25?,26?,27?,28?/m1/s1.

What are the key properties of [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate?

[2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate has a molecular weight of 670.85 g/mol, XLogP of 2.44, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-[(3R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutyl] N-ethylcarbamate is sourced from PubChem (CID 143352000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).