methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate

C47H60N8O8 — CID 144534781

About methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate

methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate (PubChem CID 144534781) has the molecular formula C47H60N8O8 and a molecular weight of 865.05 g/mol. Its IUPAC name is methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate.

Molecular Properties

• Compound Name: methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate
• PubChem CID: 144534781
• Molecular Formula: C47H60N8O8
• Molecular Weight: 865.05 g/mol
• Exact Mass: 864.45
• IUPAC Name: methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate
• SMILES: COC(=O)NC(C(=O)N1C2CCCC2C[C@H]1c1ncc(-c2ccc3c(c2)-c2ccc(-c4cnc(C5CC6CCCC6N5C)[nH]4)cc2-3)[nH]1)C(C)OC.COC(=O)NC(C=O)C(C)OC
• InChI: InChI=1S/C40H47N7O4.C7H13NO4/c1-21(50-3)36(45-40(49)51-4)39(48)47-33-10-6-8-25(33)18-35(47)38-42-20-31(44-38)23-12-14-27-28-15-22(11-13-26(28)29(27)16-23)30-19-41-37(43-30)34-17-24-7-5-9-32(24)46(34)2;1-5(11-2)6(4-9)8-7(10)12-3/h11-16,19-21,24-25,32-36H,5-10,17-18H2,1-4H3,(H,41,43)(H,42,44)(H,45,49);4-6H,1-3H3,(H,8,10)/t21?,24?,25?,32?,33?,34?,35-,36?;/m0./s1
• InChIKey: ZQHXDDCZYLJSKR-SYNNLWHISA-N
• XLogP: 6.81
• TPSA: 193.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.05
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate?

The IUPAC name of methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate (CID 144534781) is methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate.

What is the SMILES notation for methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate?

The canonical SMILES for methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate is COC(=O)NC(C(=O)N1C2CCCC2C[C@H]1c1ncc(-c2ccc3c(c2)-c2ccc(-c4cnc(C5CC6CCCC6N5C)[nH]4)cc2-3)[nH]1)C(C)OC.COC(=O)NC(C=O)C(C)OC.

What is the InChIKey of methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate?

The InChIKey is ZQHXDDCZYLJSKR-SYNNLWHISA-N. The full InChI is InChI=1S/C40H47N7O4.C7H13NO4/c1-21(50-3)36(45-40(49)51-4)39(48)47-33-10-6-8-25(33)18-35(47)38-42-20-31(44-38)23-12-14-27-28-15-22(11-13-26(28)29(27)16-23)30-19-41-37(43-30)34-17-24-7-5-9-32(24)46(34)2;1-5(11-2)6(4-9)8-7(10)12-3/h11-16,19-21,24-25,32-36H,5-10,17-18H2,1-4H3,(H,41,43)(H,42,44)(H,45,49);4-6H,1-3H3,(H,8,10)/t21?,24?,25?,32?,33?,34?,35-,36?;/m0./s1.

What are the key properties of methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate?

methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate has a molecular weight of 865.05 g/mol, XLogP of 6.81, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-methoxy-1-[(2S)-2-[5-[6-[2-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)-1H-imidazol-5-yl]biphenylen-2-yl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-(3-methoxy-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 144534781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).