1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan

C₁₆H₂₀N₂O₄CAS 146645-63-8304.35 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₆H₂₀N₂O₄
Molar mass: 304.35 g/mol
Exact mass: 304.1423 Da
logP: 2.38Crippen estimate
Polar surface area: 94.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

146645-63-8

SMILES

CC(C)(C)OC(=O)n1cc(C[C@H](N)C(=O)O)c2ccccc21

InChIKey

DYWUPCCKOVTCFZ-LBPRGKRZSA-N

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-9-10(8-12(17)14(19)20)11-6-4-5-7-13(11)18/h4-7,9,12H,8,17H2,1-3H3,(H,19,20)/t12-/m0/s1

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Names and synonyms

2 names

L-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-
1-Boc-L-tryptophan

Work with 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan

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

Same formula

N-tert-Butoxycarbonyl-L-tryptophan13139-14-5 (βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-80-9 (βR)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-83-2 (βR)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-86-5 (βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-83-3 (βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-86-6 (βS)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-89-9 tert-Butoxycarbonyl-D-tryptophan5241-64-5

Elsewhere

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