methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate

C52H62N8O8 — CID 135354359

About methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate

methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate (PubChem CID 135354359) has the molecular formula C52H62N8O8 and a molecular weight of 927.12 g/mol. Its IUPAC name is methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate
• PubChem CID: 135354359
• Molecular Formula: C52H62N8O8
• Molecular Weight: 927.12 g/mol
• Exact Mass: 926.47
• IUPAC Name: methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate
• SMILES: COC(=O)NC(C(=O)N1[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7(C)C[C@H]7N6C(=O)C(NC(=O)OC)C6CCOC7(CC7)C6)[nH]5)cc4)cc3)[nH]2)CC2(C)C[C@@H]12)C1CCOC2(CC2)C1
• InChI: InChI=1S/C52H62N8O8/c1-49-23-37(59(39(49)25-49)45(61)41(57-47(63)65-3)33-13-19-67-51(21-33)15-16-51)43-53-27-35(55-43)31-9-5-29(6-10-31)30-7-11-32(12-8-30)36-28-54-44(56-36)38-24-50(2)26-40(50)60(38)46(62)42(58-48(64)66-4)34-14-20-68-52(22-34)17-18-52/h5-12,27-28,33-34,37-42H,13-26H2,1-4H3,(H,53,55)(H,54,56)(H,57,63)(H,58,64)/t33?,34?,37-,38-,39+,40+,41?,42?,49?,50?/m0/s1
• InChIKey: USZWCIAOLPEOFT-ZTATXELYSA-N
• XLogP: 7.61
• TPSA: 193.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.12
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate?

The IUPAC name of methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate (CID 135354359) is methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate.

What is the SMILES notation for methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate?

The canonical SMILES for methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate is COC(=O)NC(C(=O)N1[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CC7(C)C[C@H]7N6C(=O)C(NC(=O)OC)C6CCOC7(CC7)C6)[nH]5)cc4)cc3)[nH]2)CC2(C)C[C@@H]12)C1CCOC2(CC2)C1.

What is the InChIKey of methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate?

The InChIKey is USZWCIAOLPEOFT-ZTATXELYSA-N. The full InChI is InChI=1S/C52H62N8O8/c1-49-23-37(59(39(49)25-49)45(61)41(57-47(63)65-3)33-13-19-67-51(21-33)15-16-51)43-53-27-35(55-43)31-9-5-29(6-10-31)30-7-11-32(12-8-30)36-28-54-44(56-36)38-24-50(2)26-40(50)60(38)46(62)42(58-48(64)66-4)34-14-20-68-52(22-34)17-18-52/h5-12,27-28,33-34,37-42H,13-26H2,1-4H3,(H,53,55)(H,54,56)(H,57,63)(H,58,64)/t33?,34?,37-,38-,39+,40+,41?,42?,49?,50?/m0/s1.

What are the key properties of methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate?

methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate has a molecular weight of 927.12 g/mol, XLogP of 7.61, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[(1R,3S)-3-[5-[4-[4-[2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(4-oxaspiro[2.5]octan-7-yl)acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 135354359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).