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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H42N4O6
Molecular Weight 614.7312
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-988

SMILES

C[C@](CC1=CNC2=C1C=CC=C2)(NC(=O)OC3C4CC5CC(C4)CC3C5)C(=O)NC[C@H](NC(=O)CCC(O)=O)C6=CC=CC=C6

InChI

InChIKey=FVQSSYMRZKLFDR-ZABPBAJSSA-N
InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H42N4O6
Molecular Weight 614.7312
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.7 nM [IC50]

PubMed

Substance Class Chemical
Record UNII
2637PDX9SI
Record Status Validated (UNII)
Record Version