chempirical

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-thiazolepropanoic acid

C21H18N2O4SCAS 205528-32-1394.45 g/mol

Open in Covalent MOL file
OOHSNNHOO
Carboxylic acid

Properties

Molecular formula
C21H18N2O4S
Molar mass
394.45 g/mol
Exact mass
394.0987 Da
logP
3.88Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
205528-32-1
SMILES
O=C(O)[C@H](Cc1cscn1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
LSBAZFASKHLHKB-IBGZPJMESA-N
InChI
InChI=1S/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m0/s1

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Names and synonyms

3 names
  • 4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
  • 4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (S)-
  • (S)-2-(N-Fmoc-amino)-3-(thiazol-4-yl)propanoic acid

Work with (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-thiazolepropanoic 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

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-274 % similar Fmoc-L-phenylalanine35661-40-671 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-166 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-265 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-065 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine205526-25-664 % similar 4-Cyano-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine205526-34-764 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzo[B]thiophene-3-propanoic acid177966-60-863 % similar

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

Same formula

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-thiazolepropanoic acid205528-33-2

Elsewhere

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