methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

C45H64N4O7Si — CID 156679039

About methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 156679039) has the molecular formula C45H64N4O7Si and a molecular weight of 801.11 g/mol. Its IUPAC name is methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

• Compound Name: methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate
• PubChem CID: 156679039
• Molecular Formula: C45H64N4O7Si
• Molecular Weight: 801.11 g/mol
• Exact Mass: 800.45
• IUPAC Name: methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate
• SMILES: CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](C)(C)C(C)(C)C)c2cc(N3CCO[C@@H](C[C@H](NC(=O)OCc4ccccc4)C(=O)OC)C3)ccc21
• InChI: InChI=1S/C45H64N4O7Si/c1-12-49-39-21-20-33(48-23-24-54-34(28-48)26-38(42(50)53-9)47-43(51)55-29-32-17-14-13-15-18-32)25-36(39)37(27-45(6,7)30-56-57(10,11)44(3,4)5)41(49)35-19-16-22-46-40(35)31(2)52-8/h13-22,25,31,34,38H,12,23-24,26-30H2,1-11H3,(H,47,51)/t31-,34-,38-/m0/s1
• InChIKey: LCZIAYXLNXVKBD-ANGMPHQKSA-N
• XLogP: 9.08
• TPSA: 113.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.11
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The IUPAC name of methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate (CID 156679039) is methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate.

What is the SMILES notation for methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The canonical SMILES for methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate is CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](C)(C)C(C)(C)C)c2cc(N3CCO[C@@H](C[C@H](NC(=O)OCc4ccccc4)C(=O)OC)C3)ccc21.

What is the InChIKey of methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The InChIKey is LCZIAYXLNXVKBD-ANGMPHQKSA-N. The full InChI is InChI=1S/C45H64N4O7Si/c1-12-49-39-21-20-33(48-23-24-54-34(28-48)26-38(42(50)53-9)47-43(51)55-29-32-17-14-13-15-18-32)25-36(39)37(27-45(6,7)30-56-57(10,11)44(3,4)5)41(49)35-19-16-22-46-40(35)31(2)52-8/h13-22,25,31,34,38H,12,23-24,26-30H2,1-11H3,(H,47,51)/t31-,34-,38-/m0/s1.

What are the key properties of methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate?

methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 801.11 g/mol, XLogP of 9.08, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-3-[(2S)-4-[3-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]morpholin-2-yl]-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 156679039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).