(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide

C35H41N5O6Si — CID 23816027

About (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide

(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide (PubChem CID 23816027) has the molecular formula C35H41N5O6Si and a molecular weight of 655.83 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide
• PubChem CID: 23816027
• Molecular Formula: C35H41N5O6Si
• Molecular Weight: 655.83 g/mol
• Exact Mass: 655.28
• IUPAC Name: (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide
• SMILES: C[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@H]([Si](C)(C)O)[C@H]1C)C(=O)N2c1ccccc1
• InChI: InChI=1S/C35H41N5O6Si/c1-22-32(47(3,4)45)31(17-18-39-20-29(37-38-39)27(21-41)24-11-7-5-8-12-24)46-35(22)28-19-25(36-33(43)23(2)42)15-16-30(28)40(34(35)44)26-13-9-6-10-14-26/h5-16,19-20,22-23,27,31-32,41-42,45H,17-18,21H2,1-4H3,(H,36,43)/t22-,23+,27?,31+,32-,35+/m1/s1
• InChIKey: QEDJQGQYSOSWRZ-HOULWECQSA-N
• XLogP: 4.29
• TPSA: 150.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.83
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide (CID 23816027) is (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@H]([Si](C)(C)O)[C@H]1C)C(=O)N2c1ccccc1.

What is the InChIKey of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide?

The InChIKey is QEDJQGQYSOSWRZ-HOULWECQSA-N. The full InChI is InChI=1S/C35H41N5O6Si/c1-22-32(47(3,4)45)31(17-18-39-20-29(37-38-39)27(21-41)24-11-7-5-8-12-24)46-35(22)28-19-25(36-33(43)23(2)42)15-16-30(28)40(34(35)44)26-13-9-6-10-14-26/h5-16,19-20,22-23,27,31-32,41-42,45H,17-18,21H2,1-4H3,(H,36,43)/t22-,23+,27?,31+,32-,35+/m1/s1.

What are the key properties of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide?

(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide has a molecular weight of 655.83 g/mol, XLogP of 4.29, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-phenylspiro[indole-3,2'-oxolane]-5-yl]propanamide is sourced from PubChem (CID 23816027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).