propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate

C34H38N4O6 — CID 90814110

IUPACpropan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCC(=O)N([C@@H](Cc1ccccc1)C(O)C(=O)OC(C)C)N1C(=O)C(C(C)C)N(C(=O)c2ccccn2)C=C1c1ccccc1
InChIInChI=1S/C34H38N4O6/c1-22(2)30-33(42)38(29(26-16-10-7-11-17-26)21-36(30)32(41)27-18-12-13-19-35-27)37(24(5)39)28(20-25-14-8-6-9-15-25)31(40)34(43)44-23(3)4/h6-19,21-23,28,30-31,40H,20H2,1-5H3/t28-,30?,31?/m0/s1
InChIKeyKFDGZRGMKFFEBE-LWLMPLTMSA-N
MW598.70 g/mol
LogP4.08
Rot. Bonds10

About propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate

propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate (PubChem CID 90814110) has the molecular formula C34H38N4O6 and a molecular weight of 598.70 g/mol. Its IUPAC name is propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate
PubChem CID90814110
Molecular FormulaC34H38N4O6
Molecular Weight598.70 g/mol
Exact Mass598.28
IUPAC Namepropan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCC(=O)N([C@@H](Cc1ccccc1)C(O)C(=O)OC(C)C)N1C(=O)C(C(C)C)N(C(=O)c2ccccn2)C=C1c1ccccc1
InChIInChI=1S/C34H38N4O6/c1-22(2)30-33(42)38(29(26-16-10-7-11-17-26)21-36(30)32(41)27-18-12-13-19-35-27)37(24(5)39)28(20-25-14-8-6-9-15-25)31(40)34(43)44-23(3)4/h6-19,21-23,28,30-31,40H,20H2,1-5H3/t28-,30?,31?/m0/s1
InChIKeyKFDGZRGMKFFEBE-LWLMPLTMSA-N
XLogP4.08
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]-N-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]acetamide
CID 87980361
propan-2-yl (3S)-3-[acetyl-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)amino]-2-oxo-4-phenylbutanoate
CID 91457657
N-(1-benzoyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-4-imino-3-oxo-1-phenylbutan-2-yl]acetamide
CID 91565098
N-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
CID 87978684
propan-2-yl (3S)-3-[acetyl-[1-(cyclohexanecarbonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]amino]-2-oxo-4-phenylbutanoate
CID 90759835
propan-2-yl (3S)-3-[acetyl-[1-acetyl-2-(2-methylpropyl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]amino]-2-oxo-4-phenylbutanoate
CID 91133278
propan-2-yl (3S)-3-[acetyl-(2-methoxy-3-oxo-1,4-thiazin-4-yl)amino]-2-hydroxy-4-phenylbutanoate
CID 91033791
ethyl 4-[(2S)-3-acetamido-3-hydroxy-4-oxo-1-phenyl-4-propan-2-yloxybutan-2-yl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate
CID 151784187
N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide
CID 152550962
propan-2-yl (3S)-3-acetamido-2-oxo-3-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-4-carbonyl)-2H-pyrazin-4-yl]-4-phenylbutanoate
CID 151135802
methyl (2S)-2-[[2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-3-phenylpropanoate
CID 86759893
N-[(2S)-2-[(2R)-1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-hydroxy-3-phenylpropyl]acetamide
CID 150398217

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate?
The IUPAC name of propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate (CID 90814110) is propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate is CC(=O)N([C@@H](Cc1ccccc1)C(O)C(=O)OC(C)C)N1C(=O)C(C(C)C)N(C(=O)c2ccccn2)C=C1c1ccccc1.
What is the InChIKey of propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate?
The InChIKey is KFDGZRGMKFFEBE-LWLMPLTMSA-N. The full InChI is InChI=1S/C34H38N4O6/c1-22(2)30-33(42)38(29(26-16-10-7-11-17-26)21-36(30)32(41)27-18-12-13-19-35-27)37(24(5)39)28(20-25-14-8-6-9-15-25)31(40)34(43)44-23(3)4/h6-19,21-23,28,30-31,40H,20H2,1-5H3/t28-,30?,31?/m0/s1.
What are the key properties of propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate?
propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate has a molecular weight of 598.70 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-[acetyl-[3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]amino]-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 90814110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).