Fmoc-cys(4-mbzl)-oh

C₂₆H₂₅NO₄SCAS 136050-67-4447.55 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₂₆H₂₅NO₄S
Molar mass: 447.55 g/mol
Exact mass: 447.1504 Da
logP: 5.22Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

136050-67-4

SMILES

CC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

OQYBTXFHTQYWCZ-DEOSSOPVSA-N

InChI

InChI=1S/C26H25NO4S/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(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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Names and synonyms

1 names

Fmoc-cys(4-MeBzl)-OH

Work with Fmoc-cys(4-mbzl)-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-(4-methoxybenzyl)-L-cysteine141892-41-380 % similar Fmoc-L-4-methylphe199006-54-777 % similar Fmoc-D-4-methylphe204260-38-877 % similar Fmoc-S-methyl-L-cysteine138021-87-168 % similar Fmoc-D-cys(tbu)-oh131766-22-865 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-565 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-563 % similar Fmoc-D-abu-oh170642-27-063 % similar

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

Elsewhere

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