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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33N3O4
Molecular Weight 475.5793
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SCH-602539

SMILES

CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\C4=NC=C(C=C4)C5=NC=CC=C5)C1

InChI

InChIKey=IHWKYASJAJITBL-MSGZWQTISA-N
InChI=1S/C28H33N3O4/c1-3-34-28(33)31-21-10-11-22-19(14-21)15-24-26(17(2)35-27(24)32)23(22)12-9-20-8-7-18(16-30-20)25-6-4-5-13-29-25/h4-9,12-13,16-17,19,21-24,26H,3,10-11,14-15H2,1-2H3,(H,31,33)/b12-9+/t17-,19+,21-,22-,23+,24-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H33N3O4
Molecular Weight 475.5793
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7467O90MW3
Record Status Validated (UNII)
Record Version