[2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate

C37H56N6O7 — CID 143360898

About [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate

[2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate (PubChem CID 143360898) has the molecular formula C37H56N6O7 and a molecular weight of 696.89 g/mol. Its IUPAC name is [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate
• PubChem CID: 143360898
• Molecular Formula: C37H56N6O7
• Molecular Weight: 696.89 g/mol
• Exact Mass: 696.42
• IUPAC Name: [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate
• SMILES: CC(C)C(COC(=O)NC(C)(C)C)NC(=O)N[C@H](C(=O)N1CC[C@H](C(C)C)[C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C1Cc2ccccc2C1
• InChI: InChI=1S/C37H56N6O7/c1-20(2)26-14-15-43(30(26)33(46)39-27(16-22-12-13-22)31(44)32(38)45)34(47)29(25-17-23-10-8-9-11-24(23)18-25)41-35(48)40-28(21(3)4)19-50-36(49)42-37(5,6)7/h8-11,20-22,25-30H,12-19H2,1-7H3,(H2,38,45)(H,39,46)(H,42,49)(H2,40,41,48)/t26-,27?,28?,29+,30+/m1/s1
• InChIKey: DUNZFTLMUPOIQA-VJBGASIXSA-N
• XLogP: 2.83
• TPSA: 189.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	696.89
LogP ≤ 5	2.83
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-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate?

The IUPAC name of [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate (CID 143360898) is [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate.

What is the SMILES notation for [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate?

The canonical SMILES for [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate is CC(C)C(COC(=O)NC(C)(C)C)NC(=O)N[C@H](C(=O)N1CC[C@H](C(C)C)[C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C1Cc2ccccc2C1.

What is the InChIKey of [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate?

The InChIKey is DUNZFTLMUPOIQA-VJBGASIXSA-N. The full InChI is InChI=1S/C37H56N6O7/c1-20(2)26-14-15-43(30(26)33(46)39-27(16-22-12-13-22)31(44)32(38)45)34(47)29(25-17-23-10-8-9-11-24(23)18-25)41-35(48)40-28(21(3)4)19-50-36(49)42-37(5,6)7/h8-11,20-22,25-30H,12-19H2,1-7H3,(H2,38,45)(H,39,46)(H,42,49)(H2,40,41,48)/t26-,27?,28?,29+,30+/m1/s1.

What are the key properties of [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate?

[2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate has a molecular weight of 696.89 g/mol, XLogP of 2.83, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(1S)-2-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamoylamino]-3-methylbutyl] N-tert-butylcarbamate is sourced from PubChem (CID 143360898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).