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Details

Stereochemistry MIXED
Molecular Formula C18H20ClN3O5S2
Molecular Weight 457.951
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPORIDESMIN B

SMILES

COC1=C(OC)C(Cl)=CC2=C1N(C)C3N4C(=O)C5(C)SSC4(CC23O)C(=O)N5C

InChI

InChIKey=HCAHETRFJITQNU-UHFFFAOYSA-N
InChI=1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C18H20ClN3O5S2
Molecular Weight 457.951
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0YY87TLX8U
Record Status Validated (UNII)
Record Version