Boc-D-asp(otbu)-oh dcha

C₂₅H₄₆N₂O₆CAS 200334-95-8470.65 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₂₅H₄₆N₂O₆
Molar mass: 470.65 g/mol
Exact mass: 470.3356 Da
logP: 4.94Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

200334-95-8

SMILES

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

InChIKey

OMYRDWOMNDCKEJ-DDWIOCJRSA-N

InChI

InChI=1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m1./s1

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Work with Boc-D-asp(otbu)-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

Similar compounds

Boc-L-aspartic acid 4-tert-butyl ester1676-90-079 % similar Boc-glu(ome)-oh dcha14406-17-875 % similar Boc-L-2-allylglycine dicyclohexylamine salt143979-15-171 % similar Boc-D-glu(otbu)-oh104719-63-366 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-565 % similar Boc-D-lys-oh106719-44-263 % similar Boc-D-dab(Z)-oh dcha101854-42-660 % similar (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-858 % similar

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

Same formula

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8

Elsewhere

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