Boc-L-beta-Homoaspartic acid

C₁₇H₂₃NO₆CAS 254101-10-5337.37 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

254101-10-5

SMILES

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

InChIKey

FAFJSSKTLCNWRJ-CYBMUJFWSA-N

InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-14(19)20)10-15(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-L-beta-glutamic acid 5-benzyl ester

Work with Boc-L-beta-Homoaspartic 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-beta-Hoglu(Obzl)-OH218943-30-783 % similar Fmoc-beta-Glu(OtBu)-OH209252-17-566 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-563 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-263 % similar Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-661 % similar Boc-(R)-3-amino-4-(2-naphthyl)-butyric acid219297-10-660 % similar Boc-(S)-3-amino-4-(2-thienyl)-butyric acid190190-47-760 % similar Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-959 % 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 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-7 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-6

Elsewhere

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