Fmoc-D-cys(tbu)-oh

C₂₂H₂₅NO₄SCAS 131766-22-8399.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₂H₂₅NO₄S
Molar mass: 399.51 g/mol
Exact mass: 399.1504 Da
logP: 4.51Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

131766-22-8

SMILES

CC(C)(C)SC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

IXAYZHCPEYTWHW-LJQANCHMSA-N

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1

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Work with Fmoc-D-cys(tbu)-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-Fmoc-S-trityl-D-cysteine167015-11-476 % similar Fmoc-S-methyl-L-cysteine138021-87-175 % similar Fmoc-T-butyl-L-alanine139551-74-972 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-170 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-569 % similar Fmoc-D-abu-oh170642-27-069 % similar Fmoc-S-4-methoxytrityl-L-cysteine177582-21-769 % similar Fmoc-L-aspartic acid119062-05-468 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook