chempirical

(2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid

C16H30N2O6CAS 2483-46-7346.42 g/mol

Open in Covalent MOL file
OONHOHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C16H30N2O6
Molar mass
346.42 g/mol
Exact mass
346.2104 Da
logP
2.66Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2483-46-7
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
FBVSXKMMQOZUNU-NSHDSACASA-N
InChI
InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/t11-/m0/s1

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Names and synonyms

1 names
  • Boc-lys(boc)-oh

Work with (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-D-lys-oh106719-44-273 % similar Boc-orn-oh21887-64-970 % similar Boc-D-glu(otbu)-oh104719-63-368 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-567 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-666 % similar Fmoc-D-orn(boc)-oh118476-89-465 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-065 % similar Boc-L-glutamic acid2419-94-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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