N-Fmoc-S-(4-methoxybenzyl)-L-cysteine

C₂₆H₂₅NO₅SCAS 141892-41-3463.55 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether Sulfide

Properties

Molecular formula: C₂₆H₂₅NO₅S
Molar mass: 463.55 g/mol
Exact mass: 463.1453 Da
logP: 4.92Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

141892-41-3

SMILES

COC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

IWZGYHFOLFRYPK-DEOSSOPVSA-N

InChI

InChI=1S/C26H25NO5S/c1-31-18-12-10-17(11-13-18)15-33-16-24(25(28)29)27-26(30)32-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Fmoc-cys(pMeOBzl)-OH

Work with N-Fmoc-S-(4-methoxybenzyl)-L-cysteine

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-cys(4-mbzl)-oh136050-67-480 % similar Fmoc-D-4-methoxyphe201335-88-878 % similar Fmoc-S-4-methoxytrityl-L-cysteine177582-21-772 % similar N-9-Fluorenylmethoxycarbonyl-se-4-methoxybenzylselenocysteine150308-80-871 % similar Fmoc-S-methyl-L-cysteine138021-87-166 % similar Fmoc-D-cys(tbu)-oh131766-22-863 % similar N-Fmoc-S-trityl-D-cysteine167015-11-462 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-561 % similar

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

Elsewhere

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