4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid

C22H43N3O8S — CID 59870422

About 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid

4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid (PubChem CID 59870422) has the molecular formula C22H43N3O8S and a molecular weight of 509.67 g/mol. Its IUPAC name is 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid
• PubChem CID: 59870422
• Molecular Formula: C22H43N3O8S
• Molecular Weight: 509.67 g/mol
• Exact Mass: 509.28
• IUPAC Name: 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid
• SMILES: CCOC(=O)C(C)(C)NS(=O)(=O)N(CCC(C)C)CC(O)[C@H](C)NC(=O)C(C)C(C)(C)C(=O)O
• InChI: InChI=1S/C22H43N3O8S/c1-10-33-20(30)22(8,9)24-34(31,32)25(12-11-14(2)3)13-17(26)16(5)23-18(27)15(4)21(6,7)19(28)29/h14-17,24,26H,10-13H2,1-9H3,(H,23,27)(H,28,29)/t15?,16-,17?/m0/s1
• InChIKey: AZEIFUJSUANTFB-CGZBRXJRSA-N
• XLogP: 1.12
• TPSA: 162.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.67
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid?

The IUPAC name of 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid (CID 59870422) is 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid.

What is the SMILES notation for 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid?

The canonical SMILES for 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid is CCOC(=O)C(C)(C)NS(=O)(=O)N(CCC(C)C)CC(O)[C@H](C)NC(=O)C(C)C(C)(C)C(=O)O.

What is the InChIKey of 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid?

The InChIKey is AZEIFUJSUANTFB-CGZBRXJRSA-N. The full InChI is InChI=1S/C22H43N3O8S/c1-10-33-20(30)22(8,9)24-34(31,32)25(12-11-14(2)3)13-17(26)16(5)23-18(27)15(4)21(6,7)19(28)29/h14-17,24,26H,10-13H2,1-9H3,(H,23,27)(H,28,29)/t15?,16-,17?/m0/s1.

What are the key properties of 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid?

4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid has a molecular weight of 509.67 g/mol, XLogP of 1.12, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S)-4-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl-(3-methylbutyl)amino]-3-hydroxybutan-2-yl]amino]-2,2,3-trimethyl-4-oxobutanoic acid is sourced from PubChem (CID 59870422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).