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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26BrN3O6
Molecular Weight 520.373
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (S)-5-((4-bromo-2-picolinoylphenyl)amino)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoate

SMILES

COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=C(C=C(Br)C=C1)C(=O)C2=NC=CC=C2

InChI

InChIKey=GHRHRLDIDLJJRD-SFHVURJKSA-N
InChI=1S/C23H26BrN3O6/c1-23(2,3)33-22(31)27-18(10-11-19(28)32-4)21(30)26-16-9-8-14(24)13-15(16)20(29)17-7-5-6-12-25-17/h5-9,12-13,18H,10-11H2,1-4H3,(H,26,30)(H,27,31)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26BrN3O6
Molecular Weight 520.373
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
H6TVK46AFU
Record Status Validated (UNII)
Record Version