Concept information
اصطلاح مرجح
(3R,3'R,4'S,6'R,8'S,8'aS) 5 (4 hydroxybut 1 ynyl) 6' [2 (2 hydroxyethoxy)phenyl] 8' [oxo [4 (2 pyrimidinyl) 1 piperazinyl]methyl] 3',4' diphenylspir 3',4'1,7'indolea تتراهیدرو 3H پیرولو[2,1 c][1,4]oxazine] 1',2 dione
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C47H44N6O7
اینچی
- InChI=1S/C47H44N6O7/c54-27-10-9-12-31-19-20-36-35(30-31)47(45(58)50-36)38(43(56)51-23-25-52(26-24-51)46-48-21-11-22-49-46)40-44(57)60-41(33-15-5-2-6-16-33)39(32-13-3-1-4-14-32)53(40)42(47)34-17-7-8-18-37(34)59-29-28-55/h1-8,11,13-22,30,38-42,54-55H,10,23-29H2,(H,50,58)/t38-,39-,40-,41+,42+,47-/m0/s1
اینچیکی
- DEKIJPKQVLBTGQ-AEWJWUJOSA-N
جرم
- 804.890
جرم تکایزوتوپی
- 804.32715
اسمایلٓ
- C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCCO)NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9
زیرمجموعه
- 2_STAR
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:125173
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