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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17N3O4S2
Molecular Weight 403.475
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-164846

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CSC4=C3C=CC=C4)C2=O)C(O)=O

InChI

InChIKey=UZIXWKQHCIOPLV-PBFPGSCMSA-N
InChI=1S/C18H17N3O4S2/c1-8-6-27-17-13(16(23)21(17)14(8)18(24)25)20-15(22)12(19)10-7-26-11-5-3-2-4-9(10)11/h2-5,7,12-13,17H,6,19H2,1H3,(H,20,22)(H,24,25)/t12-,13-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H17N3O4S2
Molecular Weight 403.475
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S50FK70SC7
Record Status Validated (UNII)
Record Version