N-tert-Butyloxycarbonylcysteine

C₈H₁₅NO₄SCAS 20887-95-0221.27 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Thiol

Properties

Molecular formula: C₈H₁₅NO₄S
Molar mass: 221.27 g/mol
Exact mass: 221.0722 Da
logP: 0.89Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

20887-95-0

SMILES

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

InChIKey

ATVFTGTXIUDKIZ-YFKPBYRVSA-N

InChI

InChI=1S/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Boc-cys-oh

Work with N-tert-Butyloxycarbonylcysteine

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

(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-469 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-069 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-666 % similar Boc-D-glu(otbu)-oh104719-63-364 % similar Boc-D-allylglycine170899-08-864 % similar Boc-L-glutamic acid2419-94-564 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-563 % similar Boc-D-leu-oh H2O200937-17-363 % similar

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

Elsewhere

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