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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33F2N5O5
Molecular Weight 557.5889
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-771688

SMILES

COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C3=NC=CC=C3)C(=O)N1)C4=CC=C(F)C(F)=C4)C(=O)OC

InChI

InChIKey=FFXFCSQUTLDLAR-VWLOTQADSA-N
InChI=1S/C28H33F2N5O5/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H33F2N5O5
Molecular Weight 557.5889
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
IW9MH6LGKH
Record Status Validated (UNII)
Record Version