Boc-D-cys(pMeBzl)-OH

C16H23NO4SCAS 61925-78-8325.42 g/mol

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CarbamateCarboxylic acidSulfide

Properties

Molecular formula
C16H23NO4S
Molar mass
325.42 g/mol
Exact mass
325.1348 Da
logP
3.21Crippen estimate
Polar surface area
75.6 Ų
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.

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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 name
  • 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 N-tert-Butoxycarbonyl-S-benzyl-L-cysteine5068-28-080 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-L-cysteine18942-46-677 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-874 % similar Fmoc-cys(4-mbzl)-oh136050-67-466 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-(9H-fluoren-9-ylmethyl)-L-cysteine84888-35-760 % similar Boc-3-methyl-L-phenylalanine114873-06-260 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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