[(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate

C23H37N5O6S — CID 162533349

About [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate

[(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate (PubChem CID 162533349) has the molecular formula C23H37N5O6S and a molecular weight of 511.65 g/mol. Its IUPAC name is [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate.

Molecular Properties

• Compound Name: [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate
• PubChem CID: 162533349
• Molecular Formula: C23H37N5O6S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.25
• IUPAC Name: [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate
• SMILES: C[C@H](CCc1ccccc1)C[C@@H](OC(N)=O)C(=O)N[C@@H](CNCCS(N)(=O)=O)C[C@H]1CCNC1=O
• InChI: InChI=1S/C23H37N5O6S/c1-16(7-8-17-5-3-2-4-6-17)13-20(34-23(24)31)22(30)28-19(14-18-9-10-27-21(18)29)15-26-11-12-35(25,32)33/h2-6,16,18-20,26H,7-15H2,1H3,(H2,24,31)(H,27,29)(H,28,30)(H2,25,32,33)/t16-,18-,19-,20-/m1/s1
• InChIKey: HHDLVUXDQFSUMI-VBSBHUPXSA-N
• XLogP: -0.00
• TPSA: 182.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate?

The IUPAC name of [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate (CID 162533349) is [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate.

What is the SMILES notation for [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate?

The canonical SMILES for [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate is C[C@H](CCc1ccccc1)C[C@@H](OC(N)=O)C(=O)N[C@@H](CNCCS(N)(=O)=O)C[C@H]1CCNC1=O.

What is the InChIKey of [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate?

The InChIKey is HHDLVUXDQFSUMI-VBSBHUPXSA-N. The full InChI is InChI=1S/C23H37N5O6S/c1-16(7-8-17-5-3-2-4-6-17)13-20(34-23(24)31)22(30)28-19(14-18-9-10-27-21(18)29)15-26-11-12-35(25,32)33/h2-6,16,18-20,26H,7-15H2,1H3,(H2,24,31)(H,27,29)(H,28,30)(H2,25,32,33)/t16-,18-,19-,20-/m1/s1.

What are the key properties of [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate?

[(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate has a molecular weight of 511.65 g/mol, XLogP of -0.00, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate is sourced from PubChem (CID 162533349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).