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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H40N6O6
Molecular Weight 652.7394
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEP-2563

SMILES

[H][C@]12C[C@@](COC(=O)CCNC(=O)[C@@H](N)CCCCN)(OC)[C@](C)(O1)N3C4=C(C=CC=C4)C5=C3C6=C(C7=C(C=CC=C7)N26)C8=C5CNC8=O

InChI

InChIKey=GFNQJZFJGAULCC-NXDQBUHDSA-N
InChI=1S/C36H40N6O6/c1-35-36(46-2,19-47-27(43)14-16-39-33(44)23(38)11-7-8-15-37)17-26(48-35)41-24-12-5-3-9-20(24)29-30-22(18-40-34(30)45)28-21-10-4-6-13-25(21)42(35)32(28)31(29)41/h3-6,9-10,12-13,23,26H,7-8,11,14-19,37-38H2,1-2H3,(H,39,44)(H,40,45)/t23-,26+,35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H40N6O6
Molecular Weight 652.7394
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ASM3TU522N
Record Status Validated (UNII)
Record Version