(2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide

C37H48N4O5Si — CID 23957697

About (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide

(2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide (PubChem CID 23957697) has the molecular formula C37H48N4O5Si and a molecular weight of 656.90 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide
• PubChem CID: 23957697
• Molecular Formula: C37H48N4O5Si
• Molecular Weight: 656.90 g/mol
• Exact Mass: 656.34
• IUPAC Name: (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3ccc(NC(=O)[C@H](C)O)cc3)O[C@H]2CCn2cc(C(CO)c3ccccc3)nn2)cc1
• InChI: InChI=1S/C37H48N4O5Si/c1-25-34(20-13-27-11-14-29(15-12-27)38-37(44)26(2)43)46-35(36(25)47(4,5)31-18-16-30(45-3)17-19-31)21-22-41-23-33(39-40-41)32(24-42)28-9-7-6-8-10-28/h6-12,14-19,23,25-26,32,34-36,42-43H,13,20-22,24H2,1-5H3,(H,38,44)/t25-,26-,32?,34+,35-,36+/m0/s1
• InChIKey: KRMHKITYHIJFTP-NFFGWHNBSA-N
• XLogP: 5.14
• TPSA: 118.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.90
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide (CID 23957697) is (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3ccc(NC(=O)[C@H](C)O)cc3)O[C@H]2CCn2cc(C(CO)c3ccccc3)nn2)cc1.

What is the InChIKey of (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide?

The InChIKey is KRMHKITYHIJFTP-NFFGWHNBSA-N. The full InChI is InChI=1S/C37H48N4O5Si/c1-25-34(20-13-27-11-14-29(15-12-27)38-37(44)26(2)43)46-35(36(25)47(4,5)31-18-16-30(45-3)17-19-31)21-22-41-23-33(39-40-41)32(24-42)28-9-7-6-8-10-28/h6-12,14-19,23,25-26,32,34-36,42-43H,13,20-22,24H2,1-5H3,(H,38,44)/t25-,26-,32?,34+,35-,36+/m0/s1.

What are the key properties of (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide?

(2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide has a molecular weight of 656.90 g/mol, XLogP of 5.14, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 23957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).