[3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid

C34H47N5O7 — CID 134589443

About [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid

[3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 134589443) has the molecular formula C34H47N5O7 and a molecular weight of 637.78 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 134589443
• Molecular Formula: C34H47N5O7
• Molecular Weight: 637.78 g/mol
• Exact Mass: 637.35
• IUPAC Name: [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid
• SMILES: COc1ccc(CC(NC(=O)O)C(=O)NC(C)CCCN2C(=O)[C@@](CC(C)C)(c3ccccc3)N=C2NC(=O)OC(C)(C)C)cc1
• InChI: InChI=1S/C34H47N5O7/c1-22(2)21-34(25-13-9-8-10-14-25)29(41)39(30(38-34)37-32(44)46-33(4,5)6)19-11-12-23(3)35-28(40)27(36-31(42)43)20-24-15-17-26(45-7)18-16-24/h8-10,13-18,22-23,27,36H,11-12,19-21H2,1-7H3,(H,35,40)(H,42,43)(H,37,38,44)/t23?,27?,34-/m1/s1
• InChIKey: PMDXUUNHOKUVTH-SQNAPDGJSA-N
• XLogP: 4.82
• TPSA: 158.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.78
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid (CID 134589443) is [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid is COc1ccc(CC(NC(=O)O)C(=O)NC(C)CCCN2C(=O)[C@@](CC(C)C)(c3ccccc3)N=C2NC(=O)OC(C)(C)C)cc1.

What is the InChIKey of [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid?

The InChIKey is PMDXUUNHOKUVTH-SQNAPDGJSA-N. The full InChI is InChI=1S/C34H47N5O7/c1-22(2)21-34(25-13-9-8-10-14-25)29(41)39(30(38-34)37-32(44)46-33(4,5)6)19-11-12-23(3)35-28(40)27(36-31(42)43)20-24-15-17-26(45-7)18-16-24/h8-10,13-18,22-23,27,36H,11-12,19-21H2,1-7H3,(H,35,40)(H,42,43)(H,37,38,44)/t23?,27?,34-/m1/s1.

What are the key properties of [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid?

[3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 637.78 g/mol, XLogP of 4.82, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-methoxyphenyl)-1-[5-[(4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]pentan-2-ylamino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 134589443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).