Boc-glu(ome)-oh dcha

C₂₃H₄₂N₂O₆CAS 14406-17-8442.60 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₂₃H₄₂N₂O₆
Molar mass: 442.60 g/mol
Exact mass: 442.3043 Da
logP: 4.16Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14406-17-8

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChIKey

NQTKIKGXLIBFAS-ZLTKDMPESA-N

InChI

InChI=1S/C12H23N.C11H19NO6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t;7-/m.0/s1

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Work with Boc-glu(ome)-oh dcha

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-glu(ome)-oh45214-91-3Free acid Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt Z-D-Leu-OH.DCHA7662-58-0Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-7Salt

Similar compounds

Boc-D-glu(otbu)-oh104719-63-369 % similar Boc-L-aspartic acid 4-methyl ester59768-74-066 % similar Boc-L-6-hydroxynorleucine77611-37-162 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-861 % similar Boc-D-lys-oh106719-44-260 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-760 % similar (2S)-N-Boc-amino-non-8-enoic acid300831-21-460 % similar Boc-asp(ochx)-oh73821-95-160 % similar

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

Elsewhere

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