chempirical

L-Valine, 3,3′-dithiobis-

C10H20N2O4S2CAS 113626-33-8296.40 g/mol

Open in Covalent MOL file
SSNH2OOHNH2OHO
Carboxylic acidDisulfidePrimary amine

Properties

Molecular formula
C10H20N2O4S2
Molar mass
296.40 g/mol
Exact mass
296.0864 Da
logP
0.75Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
113626-33-8
SMILES
CC(C)(SSC(C)(C)[C@H](N)C(=O)O)[C@H](N)C(=O)O
InChIKey
POYPKGFSZHXASD-PHDIDXHHSA-N
InChI
InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/t5-,6-/m1/s1

Weigh it out

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

Work with L-Valine, 3,3′-dithiobis-

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

L-tert-Leucine20859-02-361 % similar D-tert-Leucine26782-71-861 % similar tert-Leucine33105-81-661 % similar 3-Methyl-L-threonine2280-27-557 % similar L-Penicillamine1113-41-355 % similar (±)-Penicillamine52-66-455 % similar (-)-Penicillamine52-67-555 % similar 3,3,3-Trifluoroalanine17463-43-350 % similar

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

Elsewhere

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