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Concept information

Preferred term

N [[(2S,3R) 5 [(2R) 1 hydroxypropan 2 yl] 3 methyl 6 oxo 8 pent 1 ynyl 3,4 dihydro 2H pyrido[2,3 b][1,5]oxazocin 2 yl]methyl] N متیل بنزامید  

Type

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

Broader concept

charge

  • 0

formula

  • C27H33N3O4

inchi

  • InChI=1S/C27H33N3O4/c1-5-6-8-11-21-14-23-25(28-15-21)34-24(19(2)16-30(27(23)33)20(3)18-31)17-29(4)26(32)22-12-9-7-10-13-22/h7,9-10,12-15,19-20,24,31H,5-6,16-18H2,1-4H3/t19-,20-,24-/m1/s1

inchikey

  • NKXMQWDASBSVNS-YOSAUDMPSA-N

mass

  • 463.570

monoisotopicmass

  • 463.24711

smiles

  • CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106117

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