chempirical

N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine

C22H24N2O8S2CAS 6968-11-2508.56 g/mol

Open in Covalent MOL file
OHOSSNHOOOHONHOO
Carboxylic acidDisulfide

Properties

Molecular formula
C22H24N2O8S2
Molar mass
508.56 g/mol
Exact mass
508.0974 Da
Melting point
119–120 °C
logP
3.54Crippen estimate
Polar surface area
158.2 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
13
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
6968-11-2
SMILES
O=C(O)[C@H](CSSC[C@H](N=C(O)OCc1ccccc1)C(=O)O)N=C(O)OCc1ccccc1
InChIKey
PTRQEEVKHMDMCF-ROUUACIJSA-N
InChI
InChI=1S/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t17-,18-/m0/s1

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Names and synonyms

13 names · show all
  • L-Cystine, N,N′-bis[(phenylmethoxy)carbonyl]-
  • Cystine, N,N′-dicarboxy-, N,N′-dibenzyl ester, L-
  • L-Cystine, N,N′-dicarboxy-, N,N′-dibenzyl ester
  • Dicarbobenzoxy-L-cystine
  • N,N′-Dicarbobenzoxy-L-cystine
  • N,N′-Bis(benzyloxycarbonyl)cystine
  • N,N′-Dicarboxy-L-cystine N,N′-dibenzyl ester
  • N,N′-Dicarboxycystine N,N′-dibenzyl ester
  • N,N′-Bis(benzyloxycarbonyl)-L-cystine
  • N,N′-Dicarbobenzoxycystine
  • NSC 154939
  • NSC 20645
  • NSC 88480

Work with N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine

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

S-Phenyl-N-[(phenylmethoxy)carbonyl]-L-cysteine159453-24-480 % similar N-[(Phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteine3257-18-980 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-376 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-576 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-676 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-874 % similar N-Benzyloxycarbonyl-dl-serine2768-56-174 % similar N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-373 % similar

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

Elsewhere

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