CBZ-S-phenyl-L-cysteine

C₁₇H₁₇NO₄SCAS 82611-65-2331.39 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₁₇H₁₇NO₄S
Molar mass: 331.39 g/mol
Exact mass: 331.0878 Da
logP: 3.16Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

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

82611-65-2

SMILES

C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)O

InChIKey

ISBOGFMUFMJWEP-UHFFFAOYSA-N

InChI

InChI=1S/C17H17NO4S/c19-16(20)15(12-23-14-9-5-2-6-10-14)18-17(21)22-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)

Weigh it out

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

Names and synonyms

1 names

N-Carbobenzyloxy-S-phenyl-L-cysteine

Work with CBZ-S-phenyl-L-cysteine

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.

S-Phenyl-N-[(phenylmethoxy)carbonyl]-L-cysteine159453-24-4Defined stereoisomer

Similar compounds

N-Carbobenzoxy-dl-aspartic acid4515-21-372 % similar (2R)-2-(((Benzyloxy)carbonyl)amino)butanedioic acid78663-07-772 % similar N-Cbz-D-serine6081-61-471 % similar Z-D-Glu-oh63648-73-769 % similar N-Cbz-D-leucine28862-79-567 % similar Z-Dl-asparagine29880-22-667 % similar N-Carbobenzoxy-dl-leucine3588-60-167 % similar Z-D-Nva-oh42918-89-867 % similar

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

Elsewhere

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