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Details

Stereochemistry RACEMIC
Molecular Formula C33H32N4O4
Molecular Weight 548.6316
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE, (6R,9AR)-

SMILES

OC1=CC=C(C[C@H]2N3[C@@H](CN(CC4=C5C=CC=CC5=CC=C4)C2=O)N(CCC3=O)C(=O)NCC6=CC=CC=C6)C=C1

InChI

InChIKey=HQWTUOLCGKIECB-IHLOFXLRSA-N
InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H32N4O4
Molecular Weight 548.6316
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

Substance Class Chemical
Record UNII
96C8Q7U2B3
Record Status Validated (UNII)
Record Version