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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25N3O3S
Molecular Weight 459.56
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAVINETANT

SMILES

CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=QYTBBBAHNIWFOD-NRFANRHFSA-N
InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25N3O3S
Molecular Weight 459.56
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
3U471ZVC5K
Record Status Validated (UNII)
Record Version