chempirical

(R)-2-(((Benzyloxy)carbonyl)amino)-3-(phenylthio)propanoic acid

C17H17NO4SCAS 159453-24-4331.39 g/mol

Open in Covalent MOL file
OOHSNHOO
Carboxylic acidSulfide

Properties

Molecular formula
C17H17NO4S
Molar mass
331.39 g/mol
Exact mass
331.0878 Da
logP
3.36Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Rin 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
159453-24-4
SMILES
O=C(O)[C@H](CSc1ccccc1)N=C(O)OCc1ccccc1
InChIKey
ISBOGFMUFMJWEP-HNNXBMFYSA-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)/t15-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • S-Phenyl-N-[(phenylmethoxy)carbonyl]-L-cysteine
  • L-Cysteine, S-phenyl-N-[(phenylmethoxy)carbonyl]-
  • N-Carbobenzoxy-S-phenyl-L-cysteine
  • N-Benzyloxycarbonyl-S-phenyl-L-cysteine
  • N-Carbobenzoxy-S-phenylcysteine
  • (2R)-2-(Phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoic acid

Work with (R)-2-(((Benzyloxy)carbonyl)amino)-3-(phenylthio)propanoic acid

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.

CBZ-S-phenyl-L-cysteine82611-65-2Stereo not defined

Similar compounds

N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine6968-11-280 % similar N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine3257-18-974 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-371 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-571 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-671 % similar Benzyloxycarbonyl-L-aspartic acid1152-61-070 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-870 % similar N-Benzyloxycarbonyl-DL-serine2768-56-170 % similar

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

Elsewhere

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