cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid

C56H58N8O6 — CID 87149704

About cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid

cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid (PubChem CID 87149704) has the molecular formula C56H58N8O6 and a molecular weight of 939.13 g/mol. Its IUPAC name is cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid.

Molecular Properties

• Compound Name: cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid
• PubChem CID: 87149704
• Molecular Formula: C56H58N8O6
• Molecular Weight: 939.13 g/mol
• Exact Mass: 938.45
• IUPAC Name: cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid
• SMILES: O=C(N[C@@H](C(=O)N1[C@@H]2C[C@H]2C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](c5ccccc5)N(C(=O)O)C5CCCC5)[nH]4)cc3)cc2)[nH]1)c1ccccc1)OC1CCCC1
• InChI: InChI=1S/C56H58N8O6/c65-53(49(37-11-3-1-4-12-37)61-55(67)70-42-17-9-10-18-42)63-45-27-39(45)29-47(63)51-57-31-43(59-51)35-23-19-33(20-24-35)34-21-25-36(26-22-34)44-32-58-52(60-44)48-30-40-28-46(40)64(48)54(66)50(38-13-5-2-6-14-38)62(56(68)69)41-15-7-8-16-41/h1-6,11-14,19-26,31-32,39-42,45-50H,7-10,15-18,27-30H2,(H,57,59)(H,58,60)(H,61,67)(H,68,69)/t39-,40+,45+,46+,47-,48-,49+,50+/m0/s1
• InChIKey: NPNRPBVGGVZJGF-UHAFONOVSA-N
• XLogP: 10.53
• TPSA: 176.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.13
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid?

The IUPAC name of cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid (CID 87149704) is cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid.

What is the SMILES notation for cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid?

The canonical SMILES for cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid is O=C(N[C@@H](C(=O)N1[C@@H]2C[C@H]2C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@H]6C[C@H]6N5C(=O)[C@@H](c5ccccc5)N(C(=O)O)C5CCCC5)[nH]4)cc3)cc2)[nH]1)c1ccccc1)OC1CCCC1.

What is the InChIKey of cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid?

The InChIKey is NPNRPBVGGVZJGF-UHAFONOVSA-N. The full InChI is InChI=1S/C56H58N8O6/c65-53(49(37-11-3-1-4-12-37)61-55(67)70-42-17-9-10-18-42)63-45-27-39(45)29-47(63)51-57-31-43(59-51)35-23-19-33(20-24-35)34-21-25-36(26-22-34)44-32-58-52(60-44)48-30-40-28-46(40)64(48)54(66)50(38-13-5-2-6-14-38)62(56(68)69)41-15-7-8-16-41/h1-6,11-14,19-26,31-32,39-42,45-50H,7-10,15-18,27-30H2,(H,57,59)(H,58,60)(H,61,67)(H,68,69)/t39-,40+,45+,46+,47-,48-,49+,50+/m0/s1.

What are the key properties of cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid?

cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid has a molecular weight of 939.13 g/mol, XLogP of 10.53, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(1R)-2-[(1R,3S,5R)-3-[5-[4-[4-[2-[(1R,3S,5S)-2-[(2R)-2-(cyclopentyloxycarbonylamino)-2-phenylacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxo-1-phenylethyl]carbamic acid is sourced from PubChem (CID 87149704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).