chempirical

S-Phenyl-N-[(phenylmethoxy)carbonyl]-L-cysteine

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

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

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

Names and synonyms

5 names
  • 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 S-Phenyl-N-[(phenylmethoxy)carbonyl]-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

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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