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Details

Stereochemistry MIXED
Molecular Formula C7H13NO3S.C4H6N4O3
Molecular Weight 349.363
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLANTOIN ACETYL METHIONINE

SMILES

NC(=O)NC1NC(=O)NC1=O.CSCCC(NC(C)=O)C(O)=O

InChI

InChIKey=LWNZJCOLRQMXHS-UHFFFAOYSA-N
InChI=1S/C7H13NO3S.C4H6N4O3/c1-5(9)8-6(7(10)11)3-4-12-2;5-3(10)6-1-2(9)8-4(11)7-1/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)

HIDE SMILES / InChI

Molecular Formula C7H13NO3S
Molecular Weight 191.248
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H6N4O3
Molecular Weight 158.1154
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
C554034748
Record Status Validated (UNII)
Record Version