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Details

Stereochemistry EPIMERIC
Molecular Formula C22H34N2O6S3
Molecular Weight 518.71
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PL-37

SMILES

CCOC(=O)OC(C)OC(=O)CNC(=O)[C@@H](CSSC[C@@H](N)CCSC)CC1=CC=CC=C1

InChI

InChIKey=BJCNUZJDFWFVBY-VITQDTLGSA-N
InChI=1S/C22H34N2O6S3/c1-4-28-22(27)30-16(2)29-20(25)13-24-21(26)18(12-17-8-6-5-7-9-17)14-32-33-15-19(23)10-11-31-3/h5-9,16,18-19H,4,10-15,23H2,1-3H3,(H,24,26)/t16?,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H34N2O6S3
Molecular Weight 518.71
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WN2CZS95GI
Record Status Validated (UNII)
Record Version