Selenocystine

C₆H₁₂N₂O₄Se₂CAS 29621-88-3334.11 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂N₂O₄Se₂
Molar mass: 334.11 g/mol
Exact mass: 335.9128 Da
Melting point: 222 °C (decomposes)
logP: -2.03Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

29621-88-3

SMILES

N[C@@H](C[Se][Se]C[C@H](N)C(=O)O)C(=O)O

InChIKey

JULROCUWKLNBSN-IMJSIDKUSA-N

InChI

InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

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

Names and synonyms

4 names

L-Alanine, 3,3′-diselenobis-
Alanine, 3,3′-diselenodi-, L-
3,3′-Diselenobis[L-alanine]
L-Selenocystine

Work with Selenocystine

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

Methylselenocysteine26046-90-267 % similar D-Serine312-84-558 % similar 2,3-Diaminopropionic acid4033-39-058 % similar 2,3-Diaminopropionic acid515-94-658 % similar Serine56-45-158 % similar Diaminopimelic acid583-93-758 % similar Selenocysteine10236-58-556 % similar (+)-α-Aminobutyric acid1492-24-656 % similar

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

Elsewhere

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