[(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate

C46H55N3O9 — CID 70056632

About [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate

[(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate (PubChem CID 70056632) has the molecular formula C46H55N3O9 and a molecular weight of 793.96 g/mol. Its IUPAC name is [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate
• PubChem CID: 70056632
• Molecular Formula: C46H55N3O9
• Molecular Weight: 793.96 g/mol
• Exact Mass: 793.39
• IUPAC Name: [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate
• SMILES: C[C@](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COC[C@H]1OCc1ccccc1)(C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(OCCN2CCOCC2)cc1
• InChI: InChI=1S/C46H55N3O9/c1-46(44(52)48-43-37-15-9-8-14-34(37)27-39(43)50,35-16-18-36(19-17-35)56-25-22-49-20-23-54-24-21-49)28-40(51)38(26-32-10-4-2-5-11-32)47-45(53)58-42-31-55-30-41(42)57-29-33-12-6-3-7-13-33/h2-19,38-43,50-51H,20-31H2,1H3,(H,47,53)(H,48,52)/t38-,39+,40-,41+,42+,43-,46+/m0/s1
• InChIKey: GFJLSGUCAYRYFG-NTVFPLNYSA-N
• XLogP: 4.50
• TPSA: 148.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	793.96
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The IUPAC name of [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate (CID 70056632) is [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate.

What is the SMILES notation for [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The canonical SMILES for [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate is C[C@](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COC[C@H]1OCc1ccccc1)(C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccc(OCCN2CCOCC2)cc1.

What is the InChIKey of [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

The InChIKey is GFJLSGUCAYRYFG-NTVFPLNYSA-N. The full InChI is InChI=1S/C46H55N3O9/c1-46(44(52)48-43-37-15-9-8-14-34(37)27-39(43)50,35-16-18-36(19-17-35)56-25-22-49-20-23-54-24-21-49)28-40(51)38(26-32-10-4-2-5-11-32)47-45(53)58-42-31-55-30-41(42)57-29-33-12-6-3-7-13-33/h2-19,38-43,50-51H,20-31H2,1H3,(H,47,53)(H,48,52)/t38-,39+,40-,41+,42+,43-,46+/m0/s1.

What are the key properties of [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate?

[(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate has a molecular weight of 793.96 g/mol, XLogP of 4.50, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-4-phenylmethoxyoxolan-3-yl] N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 70056632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).