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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > phenylalanine derivative > lsm-12557

Preferred term

lsm-12557  

Type

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

Broader concept

charge

  • 0

formula

  • C37H46N4O4

inchi

  • InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33+/m1/s1

inchikey

  • UJZHWGMAKJZUOC-JRRLLMCYSA-N

mass

  • 610.787

monoisotopicmass

  • 610.35191

smiles

  • C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101188

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