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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H24F3N5O5
Molecular Weight 591.5373
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1R)-1-(3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE

SMILES

C[C@@H](N(CC1=CC=C[N+]([O-])=C1)C(=O)CC2=CC=C(OC(F)(F)F)C=C2)C3=NC4=NC=CC=C4C(=O)N3C5=CC=C(O)C=C5

InChI

InChIKey=GJYSTNPOXMTWIE-LJQANCHMSA-N
InChI=1S/C30H24F3N5O5/c1-19(28-35-27-25(5-2-14-34-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-3-15-36(42)17-21)26(40)16-20-6-12-24(13-7-20)43-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H24F3N5O5
Molecular Weight 591.5373
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
D70B5M4MT5
Record Status Validated (UNII)
Record Version