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Nalpha,nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester

CAS
97347-40-5
Catalog Number
ACM97347405
Category
Other Products
Molecular Weight
416.51
Molecular Formula
C20H36N2O7

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Specification

Synonyms
Nα,Nε-DiBoc-Homoglutamine tert-Butyl Ester; N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-6-oxo-L-Lysine 1,1-Dimethylethyl Ester;
IUPAC Name
tert-butyl (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate
Canonical SMILES
CC(C)(C)OC(=O)C(CCCC(=O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI Key
KOLDSECLRRRIFP-ZDUSSCGKSA-N
Density
1.084g/cm³
Appearance
White Solid
Exact Mass
416.25200
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester?

The molecular formula is C20H36N2O7.

What is the molecular weight of this compound?

The molecular weight is 416.5 g/mol.

When was Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester created according to PubChem?

It was created on October 26, 2006.

What is the IUPAC name of this compound?

The IUPAC name is tert-butyl (2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate.

What is the InChIKey of Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester?

The InChIKey is KOLDSECLRRRIFP-ZDUSSCGKSA-N.

How many hydrogen bond donor counts are present in this compound?

There are 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester?

The hydrogen bond acceptor count is 7.

What is the topological polar surface area of this compound?

The topological polar surface area is 120Å2.

How many rotatable bond counts are there in Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester?

There are 12 rotatable bond counts.

Is Nalpha,Nepsilon-bis-boc-L-2-aminoadipamic acid tert-butyl ester a canonicalized compound according to PubChem?

Yes, the compound is canonicalized.

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