(3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one

C33H43N3O6Si — CID 23844846

About (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23844846) has the molecular formula C33H43N3O6Si and a molecular weight of 605.81 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23844846
• Molecular Formula: C33H43N3O6Si
• Molecular Weight: 605.81 g/mol
• Exact Mass: 605.29
• IUPAC Name: (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CC(=O)N3CCC[C@H]3CO)O[C@@]3(C(=O)N(C)c4ccc(N5CCCC5=O)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C33H43N3O6Si/c1-21-31(43(4,5)25-13-11-24(41-3)12-14-25)28(19-30(39)36-16-6-8-23(36)20-37)42-33(21)26-18-22(35-17-7-9-29(35)38)10-15-27(26)34(2)32(33)40/h10-15,18,21,23,28,31,37H,6-9,16-17,19-20H2,1-5H3/t21-,23+,28+,31-,33+/m1/s1
• InChIKey: HKJXVLATPKTTGZ-NJLBVGJGSA-N
• XLogP: 3.39
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.81
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23844846) is (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one is COc1ccc([Si](C)(C)[C@H]2[C@H](CC(=O)N3CCC[C@H]3CO)O[C@@]3(C(=O)N(C)c4ccc(N5CCCC5=O)cc43)[C@@H]2C)cc1.

What is the InChIKey of (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is HKJXVLATPKTTGZ-NJLBVGJGSA-N. The full InChI is InChI=1S/C33H43N3O6Si/c1-21-31(43(4,5)25-13-11-24(41-3)12-14-25)28(19-30(39)36-16-6-8-23(36)20-37)42-33(21)26-18-22(35-17-7-9-29(35)38)10-15-27(26)34(2)32(33)40/h10-15,18,21,23,28,31,37H,6-9,16-17,19-20H2,1-5H3/t21-,23+,28+,31-,33+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 605.81 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopyrrolidin-1-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23844846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).