D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)

CAS

96561-04-5

Catalog Number

ACM96561045

Category

Other Products

Molecular Weight

342.32

Molecular Formula

C₁₃H₂₁F₃N₂O₅

MSDS COA Spec Sheet

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Specification

Synonyms

96561-04-5, (R)-2-((tert-Butoxycarbonyl)amino)-6-(2,2,2-trifluoroacetamido)hexanoic acid, AC1ODTO2, CTK8G1611, AG-H-95612, AK129316, KB-209691, Nalpha-Boc-Nepsilon-trifluoroacetyl-D-lysine, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid

IUPAC Name

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid

Canonical SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)O

InChI Key

DEIYNDIFGSDDCY-MRVPVSSYSA-N

Exact Mass

342.14000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The molecular formula is C13H21F3N2O5.

What is the molecular weight of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The molecular weight is 342.31 g/mol.

What is the IUPAC name of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetamido)hexanoic acid.

What is the InChI of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The InChI is InChI=1S/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/m1/s1.

What is the InChIKey of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The InChIKey is DEIYNDIFGSDDCY-MRVPVSSYSA-N.

What is the canonical SMILES of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The canonical SMILES is CC(C)(C)OC(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)O.

What is the isomeric SMILES of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The isomeric SMILES is CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O.

What is the CAS number of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The CAS number is 96561-04-5.

What is the XLogP3-AA value of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The XLogP3-AA value is 2.1.

What is the hydrogen bond donor count of D-Lysine,n2-[(1,1-dimethylethoxy)carbonyl]-n6-(trifluoroacetyl)-(9ci)?

The hydrogen bond donor count is 3.