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Concept information

ترکیب اکسیژن ارگانیک > N [(2S,3S) 5 [(2S) 1 hydroxypropan 2 yl] 3 methyl 2 (methylaminomethyl) 6 oxo 3,4 dihydro 2H 1,5 benzoxazocin 8 yl] 3 (4 morpholinyl)propanamide

Preferred term

N [(2S,3S) 5 [(2S) 1 hydroxypropan 2 yl] 3 methyl 2 (methylaminomethyl) 6 oxo 3,4 dihydro 2H 1,5 benzoxazocin 8 yl] 3 (4 morpholinyl)propanamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C23H36N4O5

has_functional_parent

inchi

  • InChI=1S/C23H36N4O5/c1-16-14-27(17(2)15-28)23(30)19-12-18(4-5-20(19)32-21(16)13-24-3)25-22(29)6-7-26-8-10-31-11-9-26/h4-5,12,16-17,21,24,28H,6-11,13-15H2,1-3H3,(H,25,29)/t16-,17-,21+/m0/s1

inchikey

  • SRNCQLLCPQDCIA-XGHQBKJUSA-N

mass

  • 448.557

monoisotopicmass

  • 448.26857

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CNC)[C@@H](C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124671

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