N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester

C₁₇H₂₃NO₆CAS 34404-30-3337.37 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₇H₂₃NO₆
Molar mass: 337.37 g/mol
Exact mass: 337.1525 Da
logP: 2.49Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

34404-30-3

SMILES

CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)OCC1=CC=CC=C1

InChIKey

CVZUKWBYQQYBTF-CYBMUJFWSA-N

InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1

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Names and synonyms

1 names

Boc-D-glu-obzl

Work with N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester

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.

1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-7Enantiomer

Similar compounds

Cbz-L-glutamic acid 1-benzyl ester3705-42-878 % similar Boc-D-ser-obzl141527-78-872 % similar Fmoc-glu-obzl122350-52-169 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-669 % similar Boc-tyr-obzl19391-35-666 % similar Fmoc-D-glu-otbu109745-15-565 % similar Boc-beta-Hoglu(Obzl)-OH218943-30-764 % similar Boc-L-glutamic acid2419-94-558 % similar

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

Same formula

5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-5 Boc-L-beta-Homoaspartic acid254101-10-5 Boc-D-glutamic acid 5-benzyl ester35793-73-8 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-6

Elsewhere

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