chempirical

N,N′-Diacetyl-L-cystine

C10H16N2O6S2CAS 5545-17-5324.37 g/mol

Open in Covalent MOL file
ONHSSNHOOOHOHO
Carboxylic acidDisulfide

Properties

Molecular formula
C10H16N2O6S2
Molar mass
324.37 g/mol
Exact mass
324.0450 Da
Melting point
273–275 °C
logP
1.23Crippen estimate
Polar surface area
139.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
5545-17-5
SMILES
CC(O)=N[C@@H](CSSC[C@H](N=C(C)O)C(=O)O)C(=O)O
InChIKey
YTPQSLLEROSACP-YUMQZZPRSA-N
InChI
InChI=1S/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Cystine, N,N′-diacetyl-
  • Cystine, N,N′-diacetyl-, L-
  • Cystine, N,N′-diacetyl-
  • N,N′-Diacetylcystine
  • NSC 203780

Work with N,N′-Diacetyl-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

N,S-Diacetylcysteine18725-37-671 % similar 2-(Acetylamino)butanoic acid7211-57-668 % similar N-Acetyl-dl-serine97-14-366 % similar N-Acetyl-L-cysteine616-91-164 % similar N-Acetyl-L-leucine1188-21-262 % similar N-Acetylaspartic acid2545-40-662 % similar Acetylleucine99-15-062 % similar N-Acetyl-L-aspartic acid997-55-762 % similar

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

Elsewhere

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