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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > sgc0946

Preferred term

sgc0946  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40BrN7O4

inchi

  • InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1

inchikey

  • IQCKJUKAQJINMK-HUBRGWSESA-N

mass

  • 618.577

monoisotopicmass

  • 617.23252

smiles

  • CC(C)N(CCC/N=C(/NC1=CC=C(C=C1)C(C)(C)C)/O)C[C@]2([H])[C@]([H])([C@]([H])([C@]([H])(N3C=C(C4=C(N)N=CN=C43)Br)O2)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232383

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