methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate

C34H44FN3O8Si — CID 23758021

About methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate

methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23758021) has the molecular formula C34H44FN3O8Si and a molecular weight of 669.82 g/mol. Its IUPAC name is methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate.

Molecular Properties

• Compound Name: methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23758021
• Molecular Formula: C34H44FN3O8Si
• Molecular Weight: 669.82 g/mol
• Exact Mass: 669.29
• IUPAC Name: methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
• SMILES: COC(=O)CCCCN1C(=O)[C@@]2(O[C@@H](CC(=O)N(CCO)Cc3ccccc3)[C@H]([Si](C)(C)F)[C@H]2C)c2cc(N3CCOC3=O)ccc21
• InChI: InChI=1S/C34H44FN3O8Si/c1-23-31(47(3,4)35)28(21-29(40)36(16-18-39)22-24-10-6-5-7-11-24)46-34(23)26-20-25(37-17-19-45-33(37)43)13-14-27(26)38(32(34)42)15-9-8-12-30(41)44-2/h5-7,10-11,13-14,20,23,28,31,39H,8-9,12,15-19,21-22H2,1-4H3/t23-,28+,31-,34+/m1/s1
• InChIKey: GJULTVINKAEZBX-OVWCYOQKSA-N
• XLogP: 4.52
• TPSA: 125.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	669.82
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The IUPAC name of methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23758021) is methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate.

What is the SMILES notation for methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The canonical SMILES for methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate is COC(=O)CCCCN1C(=O)[C@@]2(O[C@@H](CC(=O)N(CCO)Cc3ccccc3)[C@H]([Si](C)(C)F)[C@H]2C)c2cc(N3CCOC3=O)ccc21.

What is the InChIKey of methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The InChIKey is GJULTVINKAEZBX-OVWCYOQKSA-N. The full InChI is InChI=1S/C34H44FN3O8Si/c1-23-31(47(3,4)35)28(21-29(40)36(16-18-39)22-24-10-6-5-7-11-24)46-34(23)26-20-25(37-17-19-45-33(37)43)13-14-27(26)38(32(34)42)15-9-8-12-30(41)44-2/h5-7,10-11,13-14,20,23,28,31,39H,8-9,12,15-19,21-22H2,1-4H3/t23-,28+,31-,34+/m1/s1.

What are the key properties of methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate has a molecular weight of 669.82 g/mol, XLogP of 4.52, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate is sourced from PubChem (CID 23758021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).