Concept information
Preferred term
N [[(2S,3R) 8 [3 (dimethylamino)prop 1 ynyl] 5 [(2R) 1 hydroxypropan 2 yl] 3 methyl 6 oxo 3,4 dihydro 2H pyrido[2,3 b][1,5]oxazocin 2 yl]methyl] N methylacetamide2
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H36N4O4
inchi
- InChI=1S/C28H36N4O4/c1-20-17-32(21(2)19-33)28(35)24-14-23(12-9-13-30(3)4)16-29-27(24)36-25(20)18-31(5)26(34)15-22-10-7-6-8-11-22/h6-8,10-11,14,16,20-21,25,33H,13,15,17-19H2,1-5H3/t20-,21-,25-/m1/s1
inchikey
- RCWBPICPBWJXDU-DNRQZRRGSA-N
mass
- 492.611
monoisotopicmass
- 492.27366
smiles
- C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)CC3=CC=CC=C3)[C@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:106388
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