chempirical

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-asparagine

C38H32N2O5CAS 132388-59-1596.68 g/mol

Open in Covalent MOL file
OOHONHNHOO
Carboxylic acid

Properties

Molecular formula
C38H32N2O5
Molar mass
596.68 g/mol
Exact mass
596.2311 Da
logP
7.52Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132388-59-1
SMILES
O=C(O)[C@H](CC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
KJYAFJQCGPUXJY-UMSFTDKQSA-N
InChI
InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1

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Names and synonyms

4 names
  • L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-
  • Fmoc-L-asn(trt)-OH
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3-[(triphenylmethyl)carbamoyl]propanoic acid

Work with N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-asparagine

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

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine132327-80-182 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-L-serine111061-56-470 % similar (5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid957780-59-568 % similar (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-6-oxo-6-[(triphenylmethyl)amino]hexanoic acid401915-55-766 % similar Fmoc-L-asparagine71989-16-766 % similar Fmoc-L-phenylalanine35661-40-665 % similar 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-864 % similar 4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate145038-53-563 % similar

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

Elsewhere

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