[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C40H37N7O3 — CID 118348010

About [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 118348010) has the molecular formula C40H37N7O3 and a molecular weight of 663.78 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 118348010
• Molecular Formula: C40H37N7O3
• Molecular Weight: 663.78 g/mol
• Exact Mass: 663.30
• IUPAC Name: [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)[C@@H](NC(=O)O)C(=O)N1c2ccccc2C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5Cc6ccccc6N5)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C40H37N7O3/c1-23(2)36(46-40(49)50)39(48)47-34-10-6-4-8-29(34)20-35(47)38-42-22-33(45-38)27-17-13-25(14-18-27)24-11-15-26(16-12-24)32-21-41-37(44-32)31-19-28-7-3-5-9-30(28)43-31/h3-18,21-23,31,35-36,43,46H,19-20H2,1-2H3,(H,41,44)(H,42,45)(H,49,50)/t31-,35-,36+/m0/s1
• InChIKey: SNRSSXKWJNZVMV-UHIDCRIDSA-N
• XLogP: 7.77
• TPSA: 139.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.78
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 118348010) is [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@@H](NC(=O)O)C(=O)N1c2ccccc2C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5Cc6ccccc6N5)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is SNRSSXKWJNZVMV-UHIDCRIDSA-N. The full InChI is InChI=1S/C40H37N7O3/c1-23(2)36(46-40(49)50)39(48)47-34-10-6-4-8-29(34)20-35(47)38-42-22-33(45-38)27-17-13-25(14-18-27)24-11-15-26(16-12-24)32-21-41-37(44-32)31-19-28-7-3-5-9-30(28)43-31/h3-18,21-23,31,35-36,43,46H,19-20H2,1-2H3,(H,41,44)(H,42,45)(H,49,50)/t31-,35-,36+/m0/s1.

What are the key properties of [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 663.78 g/mol, XLogP of 7.77, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-2,3-dihydro-1H-indol-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,3-dihydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118348010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).