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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H18N4O2
Molecular Weight 406.436
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERLICIN D

SMILES

O=C1N2[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)NC5=C(C=CC=C5)C2=NC6=C1C=CC=C6

InChI

InChIKey=TTYFXJZDLYVOTG-QFIPXVFZSA-N
InChI=1S/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26H,13H2,(H,28,30)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H18N4O2
Molecular Weight 406.436
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

PubMed

Substance Class Chemical
Record UNII
IZ1903J97T
Record Status Validated (UNII)
Record Version