[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate

C34H44N4O4Si — CID 135447674

IUPAC[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate
SMILESCC(C)[C@@H](C)[C@H](/N=C/c1c[nH]c2ccccc12)C(=O)O[Si](C)(C)OC(=O)[C@H](/N=C/c1c[nH]c2ccccc12)[C@H](C)C(C)C
InChIInChI=1S/C34H44N4O4Si/c1-21(2)23(5)31(37-19-25-17-35-29-15-11-9-13-27(25)29)33(39)41-43(7,8)42-34(40)32(24(6)22(3)4)38-20-26-18-36-30-16-12-10-14-28(26)30/h9-24,31-32,35-36H,1-8H3/b37-19+,38-20+/t23-,24-,31-,32+/m1/s1
InChIKeyUXDKXPRTFPCBAJ-XUWFPXCASA-N
MW600.84 g/mol
LogP7.30
Rot. Bonds12

About [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate

[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate (PubChem CID 135447674) has the molecular formula C34H44N4O4Si and a molecular weight of 600.84 g/mol. Its IUPAC name is [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate.

Molecular Properties

Compound Name[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate
PubChem CID135447674
Molecular FormulaC34H44N4O4Si
Molecular Weight600.84 g/mol
Exact Mass600.31
IUPAC Name[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate
SMILESCC(C)[C@@H](C)[C@H](/N=C/c1c[nH]c2ccccc12)C(=O)O[Si](C)(C)OC(=O)[C@H](/N=C/c1c[nH]c2ccccc12)[C@H](C)C(C)C
InChIInChI=1S/C34H44N4O4Si/c1-21(2)23(5)31(37-19-25-17-35-29-15-11-9-13-27(25)29)33(39)41-43(7,8)42-34(40)32(24(6)22(3)4)38-20-26-18-36-30-16-12-10-14-28(26)30/h9-24,31-32,35-36H,1-8H3/b37-19+,38-20+/t23-,24-,31-,32+/m1/s1
InChIKeyUXDKXPRTFPCBAJ-XUWFPXCASA-N
XLogP7.30
TPSA108.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.84
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[[(2R)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoyl]oxy-dimethylsilyl] (2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoate
CID 135405337
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylmethylideneamino)propanoic acid
CID 135407769
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
(2S)-2-(2,6-dimethylanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135827906
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136823985
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 136720604
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate?
The IUPAC name of [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate (CID 135447674) is [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate.
What is the SMILES notation for [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate?
The canonical SMILES for [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate is CC(C)[C@@H](C)[C@H](/N=C/c1c[nH]c2ccccc12)C(=O)O[Si](C)(C)OC(=O)[C@H](/N=C/c1c[nH]c2ccccc12)[C@H](C)C(C)C.
What is the InChIKey of [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate?
The InChIKey is UXDKXPRTFPCBAJ-XUWFPXCASA-N. The full InChI is InChI=1S/C34H44N4O4Si/c1-21(2)23(5)31(37-19-25-17-35-29-15-11-9-13-27(25)29)33(39)41-43(7,8)42-34(40)32(24(6)22(3)4)38-20-26-18-36-30-16-12-10-14-28(26)30/h9-24,31-32,35-36H,1-8H3/b37-19+,38-20+/t23-,24-,31-,32+/m1/s1.
What are the key properties of [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate?
[[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate has a molecular weight of 600.84 g/mol, XLogP of 7.30, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoyl]oxy-dimethylsilyl] (2R,3R)-2-(1H-indol-3-ylmethylideneamino)-3,4-dimethylpentanoate is sourced from PubChem (CID 135447674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).