tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide

C74H69N7O4 — CID 159633240

About tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide (PubChem CID 159633240) has the molecular formula C74H69N7O4 and a molecular weight of 1120.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide
• PubChem CID: 159633240
• Molecular Formula: C74H69N7O4
• Molecular Weight: 1120.41 g/mol
• Exact Mass: 1119.54
• IUPAC Name: tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1.O=C(N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1)[C@H](CCOCC1c2ccccc2-c2ccccc21)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C48H42N4O2.C26H27N3O2/c53-48(52-45(27-32-22-23-33-12-4-5-15-35(33)26-32)47-50-30-46(51-47)34-13-2-1-3-14-34)36(28-37-29-49-44-21-11-10-16-38(37)44)24-25-54-31-43-41-19-8-6-17-39(41)40-18-7-9-20-42(40)43;1-26(2,3)31-25(30)29-22(16-18-13-14-19-9-7-8-12-21(19)15-18)24-27-17-23(28-24)20-10-5-4-6-11-20/h1-23,26,29-30,36,43,45,49H,24-25,27-28,31H2,(H,50,51)(H,52,53);4-15,17,22H,16H2,1-3H3,(H,27,28)(H,29,30)/t36-,45-;22-/m11/s1
• InChIKey: MPKDRKXMDYNQEV-HSTYRUNGSA-N
• XLogP: 16.23
• TPSA: 149.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1120.41
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide?

The IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide (CID 159633240) is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide.

What is the SMILES notation for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide?

The canonical SMILES for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide is CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1.O=C(N[C@H](Cc1ccc2ccccc2c1)c1ncc(-c2ccccc2)[nH]1)[C@H](CCOCC1c2ccccc2-c2ccccc21)Cc1c[nH]c2ccccc12.

What is the InChIKey of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide?

The InChIKey is MPKDRKXMDYNQEV-HSTYRUNGSA-N. The full InChI is InChI=1S/C48H42N4O2.C26H27N3O2/c53-48(52-45(27-32-22-23-33-12-4-5-15-35(33)26-32)47-50-30-46(51-47)34-13-2-1-3-14-34)36(28-37-29-49-44-21-11-10-16-38(37)44)24-25-54-31-43-41-19-8-6-17-39(41)40-18-7-9-20-42(40)43;1-26(2,3)31-25(30)29-22(16-18-13-14-19-9-7-8-12-21(19)15-18)24-27-17-23(28-24)20-10-5-4-6-11-20/h1-23,26,29-30,36,43,45,49H,24-25,27-28,31H2,(H,50,51)(H,52,53);4-15,17,22H,16H2,1-3H3,(H,27,28)(H,29,30)/t36-,45-;22-/m11/s1.

What are the key properties of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide?

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide has a molecular weight of 1120.41 g/mol, XLogP of 16.23, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate;(2S)-4-(9H-fluoren-9-ylmethoxy)-2-(1H-indol-3-ylmethyl)-N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 159633240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).