[2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C24H37N3O7S — CID 164890272

About [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

[2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 164890272) has the molecular formula C24H37N3O7S and a molecular weight of 511.64 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 164890272
• Molecular Formula: C24H37N3O7S
• Molecular Weight: 511.64 g/mol
• Exact Mass: 511.24
• IUPAC Name: [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C24H37N3O7S/c1-16(2)12-20(22(30)26-18(14-28)13-17-10-11-25-21(17)29)27-23(31)34-15-24(3,4)35(32,33)19-8-6-5-7-9-19/h5-9,16-18,20,28H,10-15H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,20-/m0/s1
• InChIKey: ZRHJASPEKHCNPE-BJLQDIEVSA-N
• XLogP: 1.38
• TPSA: 150.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.64
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 164890272) is [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O.

What is the InChIKey of [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is ZRHJASPEKHCNPE-BJLQDIEVSA-N. The full InChI is InChI=1S/C24H37N3O7S/c1-16(2)12-20(22(30)26-18(14-28)13-17-10-11-25-21(17)29)27-23(31)34-15-24(3,4)35(32,33)19-8-6-5-7-9-19/h5-9,16-18,20,28H,10-15H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)/t17-,18-,20-/m0/s1.

What are the key properties of [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

[2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 511.64 g/mol, XLogP of 1.38, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(benzenesulfonyl)-2-methylpropyl] N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 164890272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).