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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H22N2O6S
Molecular Weight 322.378
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PANTOTHENOYLCYSTEINE

SMILES

CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O

InChI

InChIKey=QSYCTARXWYLMOF-CBAPKCEASA-N
InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H22N2O6S
Molecular Weight 322.378
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
8VL63G723P
Record Status Validated (UNII)
Record Version