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

C43H49N5O6Si — CID 23817055

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

(2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide (PubChem CID 23817055) has the molecular formula C43H49N5O6Si and a molecular weight of 759.98 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide
• PubChem CID: 23817055
• Molecular Formula: C43H49N5O6Si
• Molecular Weight: 759.98 g/mol
• Exact Mass: 759.35
• IUPAC Name: (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(C(CO)c4ccccc4)nn3)O[C@@]3(C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c4ccccc43)[C@@H]2C)cc1
• InChI: InChI=1S/C43H49N5O6Si/c1-28-40(55(4,5)34-21-19-33(53-3)20-22-34)39(23-24-47-26-37(45-46-47)35(27-49)31-11-7-6-8-12-31)54-43(28)36-13-9-10-14-38(36)48(42(43)52)25-30-15-17-32(18-16-30)44-41(51)29(2)50/h6-22,26,28-29,35,39-40,49-50H,23-25,27H2,1-5H3,(H,44,51)/t28-,29+,35?,39+,40-,43+/m1/s1
• InChIKey: DPTZBLXCQUSSGG-DPEFIALNSA-N
• XLogP: 5.58
• TPSA: 139.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.98
LogP ≤ 5	5.58
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-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide (CID 23817055) is (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide.

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

The canonical SMILES for (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide is COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(C(CO)c4ccccc4)nn3)O[C@@]3(C(=O)N(Cc4ccc(NC(=O)[C@H](C)O)cc4)c4ccccc43)[C@@H]2C)cc1.

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

The InChIKey is DPTZBLXCQUSSGG-DPEFIALNSA-N. The full InChI is InChI=1S/C43H49N5O6Si/c1-28-40(55(4,5)34-21-19-33(53-3)20-22-34)39(23-24-47-26-37(45-46-47)35(27-49)31-11-7-6-8-12-31)54-43(28)36-13-9-10-14-38(36)48(42(43)52)25-30-15-17-32(18-16-30)44-41(51)29(2)50/h6-22,26,28-29,35,39-40,49-50H,23-25,27H2,1-5H3,(H,44,51)/t28-,29+,35?,39+,40-,43+/m1/s1.

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

(2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide has a molecular weight of 759.98 g/mol, XLogP of 5.58, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[4-[[(3S,3'S,4'R,5'S)-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 23817055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).