chempirical

tert-Butoxycarbonyl-D-tryptophan

C16H20N2O4CAS 5241-64-5304.35 g/mol

Open in Covalent MOL file
OONHNHOOH
Carboxylic acid

Properties

Molecular formula
C16H20N2O4
Molar mass
304.35 g/mol
Exact mass
304.1423 Da
logP
2.89Crippen estimate
Polar surface area
94.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
5241-64-5
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
NFVNYBJCJGKVQK-CYBMUJFWSA-N
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1

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Names and synonyms

10 names
  • D-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-
  • Tryptophan, N-carboxy-, N-tert-butyl ester, D-
  • N-[(1,1-Dimethylethoxy)carbonyl]-D-tryptophan
  • N-tert-Butoxycarbonyl-D-tryptophan
  • N-tert-Butyloxycarbonyl-D-tryptophan
  • N-BOC-D-tryptophan
  • Boc-D-tryptophan
  • (R)-2-[(tert-Butoxycarbonyl)amino]-3-(1H-indol-3-yl)propionic acid
  • (R)-2-(((tert-Butoxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acid
  • (2R)-3-(1H-Indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with tert-Butoxycarbonyl-D-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 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan146645-63-8 (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

Elsewhere

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