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

C40H51N3O8 — CID 70056909

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

methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate (PubChem CID 70056909) has the molecular formula C40H51N3O8 and a molecular weight of 701.86 g/mol. Its IUPAC name is methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate
• PubChem CID: 70056909
• Molecular Formula: C40H51N3O8
• Molecular Weight: 701.86 g/mol
• Exact Mass: 701.37
• IUPAC Name: methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate
• SMILES: COC(=O)N(C1CCOC1)[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
• InChI: InChI=1S/C40H51N3O8/c1-48-40(47)43(32-15-19-50-27-32)35(24-28-7-3-2-4-8-28)36(44)26-31(39(46)41-38-34-10-6-5-9-30(34)25-37(38)45)23-29-11-13-33(14-12-29)51-22-18-42-16-20-49-21-17-42/h2-14,31-32,35-38,44-45H,15-27H2,1H3,(H,41,46)/t31-,32?,35+,36+,37-,38+/m1/s1
• InChIKey: OPVOADUCDGMACF-ORQMEZMFSA-N
• XLogP: 3.55
• TPSA: 130.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.86
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate (CID 70056909) is methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate.

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

The canonical SMILES for methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate is COC(=O)N(C1CCOC1)[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.

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

The InChIKey is OPVOADUCDGMACF-ORQMEZMFSA-N. The full InChI is InChI=1S/C40H51N3O8/c1-48-40(47)43(32-15-19-50-27-32)35(24-28-7-3-2-4-8-28)36(44)26-31(39(46)41-38-34-10-6-5-9-30(34)25-37(38)45)23-29-11-13-33(14-12-29)51-22-18-42-16-20-49-21-17-42/h2-14,31-32,35-38,44-45H,15-27H2,1H3,(H,41,46)/t31-,32?,35+,36+,37-,38+/m1/s1.

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

methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate has a molecular weight of 701.86 g/mol, XLogP of 3.55, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]-N-(oxolan-3-yl)carbamate is sourced from PubChem (CID 70056909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).