methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate

C30H46N2O5Si2 — CID 10816893

IUPACmethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate
SMILESCOC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H46N2O5Si2/c1-30(2,3)37-29(35)32-25(19-21-38(5,6)23-15-11-9-12-16-23)27(33)31-26(28(34)36-4)20-22-39(7,8)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3,(H,31,33)(H,32,35)/t25-,26-/m1/s1
InChIKeyYHMJZMHUEXQUTQ-CLJLJLNGSA-N
MW570.88 g/mol
LogP4.55
Rot. Bonds12

About methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate

methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate (PubChem CID 10816893) has the molecular formula C30H46N2O5Si2 and a molecular weight of 570.88 g/mol. Its IUPAC name is methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate
PubChem CID10816893
Molecular FormulaC30H46N2O5Si2
Molecular Weight570.88 g/mol
Exact Mass570.29
IUPAC Namemethyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate
SMILESCOC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C30H46N2O5Si2/c1-30(2,3)37-29(35)32-25(19-21-38(5,6)23-15-11-9-12-16-23)27(33)31-26(28(34)36-4)20-22-39(7,8)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3,(H,31,33)(H,32,35)/t25-,26-/m1/s1
InChIKeyYHMJZMHUEXQUTQ-CLJLJLNGSA-N
XLogP4.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.88
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
CID 10940678
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 15453554
tert-butyl N-[(2S)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 60201108
tert-butyl N-[(2R)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101777670
tert-butyl N-[(2S)-1-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 101807976
methyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoyl]amino]acetate
CID 102048649
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
methyl (2S)-3-[methyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121987
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
Methyl 3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132559588

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate?
The IUPAC name of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate (CID 10816893) is methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate.
What is the SMILES notation for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate?
The canonical SMILES for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate is COC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)[C@@H](CC[Si](C)(C)c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate?
The InChIKey is YHMJZMHUEXQUTQ-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H46N2O5Si2/c1-30(2,3)37-29(35)32-25(19-21-38(5,6)23-15-11-9-12-16-23)27(33)31-26(28(34)36-4)20-22-39(7,8)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3,(H,31,33)(H,32,35)/t25-,26-/m1/s1.
What are the key properties of methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate?
methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate has a molecular weight of 570.88 g/mol, XLogP of 4.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoate is sourced from PubChem (CID 10816893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).