(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide

C31H41N5O6Si — CID 23900531

About (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide

(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide (PubChem CID 23900531) has the molecular formula C31H41N5O6Si and a molecular weight of 607.78 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide
• PubChem CID: 23900531
• Molecular Formula: C31H41N5O6Si
• Molecular Weight: 607.78 g/mol
• Exact Mass: 607.28
• IUPAC Name: (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(CCO)nn3)O[C@@]3(C(=O)N(C)c4ccc(NC(=O)[C@H](C)O)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C31H41N5O6Si/c1-19-28(43(5,6)24-10-8-23(41-4)9-11-24)27(13-15-36-18-22(14-16-37)33-34-36)42-31(19)25-17-21(32-29(39)20(2)38)7-12-26(25)35(3)30(31)40/h7-12,17-20,27-28,37-38H,13-16H2,1-6H3,(H,32,39)/t19-,20+,27+,28-,31+/m1/s1
• InChIKey: OHWWXBSLJHYDEO-UXDBDWCLSA-N
• XLogP: 2.42
• TPSA: 139.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.78
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
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)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide (CID 23900531) is (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide is COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(CCO)nn3)O[C@@]3(C(=O)N(C)c4ccc(NC(=O)[C@H](C)O)cc43)[C@@H]2C)cc1.

What is the InChIKey of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide?

The InChIKey is OHWWXBSLJHYDEO-UXDBDWCLSA-N. The full InChI is InChI=1S/C31H41N5O6Si/c1-19-28(43(5,6)24-10-8-23(41-4)9-11-24)27(13-15-36-18-22(14-16-37)33-34-36)42-31(19)25-17-21(32-29(39)20(2)38)7-12-26(25)35(3)30(31)40/h7-12,17-20,27-28,37-38H,13-16H2,1-6H3,(H,32,39)/t19-,20+,27+,28-,31+/m1/s1.

What are the key properties of (2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide?

(2S)-2-hydroxy-N-[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide has a molecular weight of 607.78 g/mol, XLogP of 2.42, 10 rotatable bonds, 3 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)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]propanamide is sourced from PubChem (CID 23900531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).