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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12N4O4S
Molecular Weight 248.26
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-3-METHYL-3-SULFINO-4-(1H-1,2,3-TRIAZOL-1-YL)BUTYRIC ACID, (2S,3S)-

SMILES

C[C@](CN1C=CN=N1)([C@@H](N)C(O)=O)S(O)=O

InChI

InChIKey=HTKDZWPPZOALOH-FSPLSTOPSA-N
InChI=1S/C7H12N4O4S/c1-7(16(14)15,5(8)6(12)13)4-11-3-2-9-10-11/h2-3,5H,4,8H2,1H3,(H,12,13)(H,14,15)/t5-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12N4O4S
Molecular Weight 248.26
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
76FCB4Z98Z
Record Status Validated (UNII)
Record Version