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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16N2O6S
Molecular Weight 316.33
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-S-L-CYSTEINYL-L-DOPA

SMILES

N[C@@H](CSC1=CC(C[C@H](N)C(O)=O)=CC(O)=C1O)C(O)=O

InChI

InChIKey=SXISMOAILJWTID-BQBZGAKWSA-N
InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16N2O6S
Molecular Weight 316.33
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6I8HV27IUT
Record Status Validated (UNII)
Record Version