Boc-D-cys(pMeBzl)-OH

C₁₆H₂₃NO₄SCAS 61925-78-8325.42 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₁₆H₂₃NO₄S
Molar mass: 325.42 g/mol
Exact mass: 325.1348 Da
logP: 3.21Crippen 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

61925-78-8

SMILES

CC1=CC=C(C=C1)CSC[C@H](C(=O)O)NC(=O)OC(C)(C)C

InChIKey

CUNVVZWSABRKAL-CYBMUJFWSA-N

InChI

InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1

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Names and synonyms

1 names

Boc-D-cys(mbzl)-oh

Work with Boc-D-cys(pMeBzl)-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

Boc-D-cys(bzl)-oh102830-49-980 % similar Fmoc-cys(4-mbzl)-oh136050-67-466 % similar Boc-3-methyl-L-phenylalanine114873-06-260 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-260 % similar Boc-D-tyr-oh70642-86-359 % similar Boc-homo-L-tyrosine198473-94-858 % similar Boc-S-trityl-D-cysteine87494-13-158 % similar Boc-cys(tbu)-oh56976-06-858 % similar

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

Elsewhere

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