(2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

C40H50N4O6Si — CID 23957520

About (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide

(2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (PubChem CID 23957520) has the molecular formula C40H50N4O6Si and a molecular weight of 710.95 g/mol. Its IUPAC name is (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• PubChem CID: 23957520
• Molecular Formula: C40H50N4O6Si
• Molecular Weight: 710.95 g/mol
• Exact Mass: 710.35
• IUPAC Name: (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N3CCC[C@H]3CO)O[C@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@H]5CCCN5)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C40H50N4O6Si/c1-26-37(51(3,4)31-17-15-30(49-2)16-18-31)35(23-36(46)43-21-9-12-29(43)25-45)50-40(26)32-22-28(42-38(47)33-13-8-20-41-33)14-19-34(32)44(39(40)48)24-27-10-6-5-7-11-27/h5-7,10-11,14-19,22,26,29,33,35,37,41,45H,8-9,12-13,20-21,23-25H2,1-4H3,(H,42,47)/t26-,29-,33+,35+,37-,40+/m0/s1
• InChIKey: PNTRXZLNOBEZSU-SFZWTTEOSA-N
• XLogP: 4.52
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	710.95
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide (CID 23957520) is (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N3CCC[C@H]3CO)O[C@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@H]5CCCN5)cc43)[C@H]2C)cc1.

What is the InChIKey of (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

The InChIKey is PNTRXZLNOBEZSU-SFZWTTEOSA-N. The full InChI is InChI=1S/C40H50N4O6Si/c1-26-37(51(3,4)31-17-15-30(49-2)16-18-31)35(23-36(46)43-21-9-12-29(43)25-45)50-40(26)32-22-28(42-38(47)33-13-8-20-41-33)14-19-34(32)44(39(40)48)24-27-10-6-5-7-11-27/h5-7,10-11,14-19,22,26,29,33,35,37,41,45H,8-9,12-13,20-21,23-25H2,1-4H3,(H,42,47)/t26-,29-,33+,35+,37-,40+/m0/s1.

What are the key properties of (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide?

(2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 710.95 g/mol, XLogP of 4.52, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23957520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).