chempirical

Fmoc-L-asp(otbu)-oh

C23H25NO6CAS 71989-14-5411.45 g/mol

Open in Covalent MOL file
OONHOOOOH
Carboxylic acidEster

Properties

Molecular formula
C23H25NO6
Molar mass
411.45 g/mol
Exact mass
411.1682 Da
Melting point
149–152 °C
logP
3.91Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
71989-14-5
SMILES
CC(C)(C)OC(=O)C[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
FODJWPHPWBKDON-IBGZPJMESA-N
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester
  • N-(9-Fluorenylmethoxycarbonyl)-L-aspartic acid β-tert-butyl ester
  • N-(9-Fluorenylmethoxycarbonyl)aspartic acid 4-tert-butyl ester
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-tert-butoxy-4-oxo-butanoic acid
  • (2S)-4-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]-4-oxobutanoic acid
  • 4-tert-Butyl N-(fluoren-9-ylmethoxycarbonyl)-L-aspartate
  • Fmoc-asp(tBu)-OH
  • Fmoc-L-asp(OtBu)
  • (2S)-4-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-4-oxobutanoic acid
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
  • (2S)-4-tert-Butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoic acid

Work with Fmoc-L-asp(otbu)-oh

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

N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-984 % similar 4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate145038-53-576 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-875 % similar N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine109425-55-073 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-472 % similar Fmoc-lys(boc)-oh71989-26-972 % similar 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-871 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-868 % similar

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

Same formula

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-3 Boc-asp(ofm)-oh117014-32-1 N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-3 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-9 Fmoc-D-asp-otbu134098-70-7

Elsewhere

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