Boc-D-cys(bzl)-oh

C₁₅H₂₁NO₄SCAS 102830-49-9311.40 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₁₅H₂₁NO₄S
Molar mass: 311.40 g/mol
Exact mass: 311.1191 Da
logP: 2.90Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
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

102830-49-9

SMILES

CC(C)(C)OC(=O)N[C@H](CSCC1=CC=CC=C1)C(=O)O

InChIKey

IFVORPLRHYROAA-GFCCVEGCSA-N

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

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Names and synonyms

1 names

N-tert-Butyloxycarbonyl-S-benzylcysteine

Work with Boc-D-cys(bzl)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-0Enantiomer

Similar compounds

Boc-D-cys(pMeBzl)-OH61925-78-880 % similar Boc-dl-phe-oh4530-18-173 % similar Boc-L-homophenylalanine100564-78-171 % similar Boc-D-homophenylalanine82732-07-871 % similar Boc-S-trityl-D-cysteine87494-13-169 % similar (R)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid47173-80-869 % similar Fmoc-S-benzyl-L-cysteine53298-33-265 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-465 % similar

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

Elsewhere

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