chempirical

(S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid

C23H27NO5CAS 914399-98-7397.47 g/mol

Open in Covalent MOL file
ONHOOOHO
Carboxylic acidEther

Properties

Molecular formula
C23H27NO5
Molar mass
397.47 g/mol
Exact mass
397.1889 Da
logP
4.39Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
914399-98-7
SMILES
CC(C)(C)OC[C@](C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
WRDFKKLMQLSBQN-QHCPKHFHSA-N
InChI
InChI=1S/C23H27NO5/c1-22(2,3)29-14-23(4,20(25)26)24-21(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,13-14H2,1-4H3,(H,24,27)(H,25,26)/t23-/m0/s1

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Names and synonyms

2 names
  • O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine
  • L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-

Work with (S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid

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

Fmoc-alpha-methyl-L-leucine312624-65-074 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-069 % similar 1-((Fmoc)amino)cyclohexanecarboxylic acid162648-54-661 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-860 % similar 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-355 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-452 % similar Fmoc-L-asp(OtBu)-OH71989-14-552 % similar Fmoc-L-tyr(tBu)-OH71989-38-352 % similar

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

Same formula

Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-6 Fmoc-O-tert-butyl-D-threonine138797-71-4 Fmoc-L-statine158257-40-0 Fmoc-D-allo-thr(tbu)-oh170643-02-4 N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-2 Fmoc-allo-thr(tbu)-oh201481-37-0 (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)butanoic acid203854-51-7 N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-0

Elsewhere

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