chempirical

Fmoc-met(O2)-oh

C20H21NO6SCAS 163437-14-7403.45 g/mol

Open in Covalent MOL file
SOOOOHNHOO
CarbamateCarboxylic acidSulfone

Properties

Molecular formula
C20H21NO6S
Molar mass
403.45 g/mol
Exact mass
403.1090 Da
logP
2.41Crippen estimate
Polar surface area
109.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7
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
163437-14-7
SMILES
CS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
KJLKPACOHZKRFM-SFHVURJKSA-N
InChI
InChI=1S/C20H21NO6S/c1-28(25,26)11-10-18(19(22)23)21-20(24)27-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1

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Work with Fmoc-met(O2)-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

Fmoc-L-norvaline135112-28-673 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-673 % similar Fmoc-D-nle-oh112883-41-770 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid77284-32-370 % similar Fmoc-L-homophenylalanine132684-59-469 % similar Fmoc-D-homophenylalanine135944-09-169 % similar Fmoc-D-homophenylalanine135994-09-169 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-568 % similar

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

Elsewhere

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