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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15NO5S3
Molecular Weight 349.446
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-81054

SMILES

[H][C@]12SC(S[C@@H]3CC[S@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=FLSUCZWOEMTFAQ-PKHVTOCSSA-N
InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,10-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H15NO5S3
Molecular Weight 349.446
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R27UVM94J7
Record Status Validated (UNII)
Record Version