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Chemistry, part 3

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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 > f-14512

Preferred term

f-14512  

Type

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

Broader concept

charge

  • 0

formula

  • C33H47N5O8

has_role

inchi

  • InChI=1S/C33H47N5O8/c1-42-26-13-20(14-27(43-2)32(26)40)29-21-15-24-25(46-19-45-24)16-22(21)31(23-18-44-33(41)30(23)29)38-28(39)17-37-12-6-11-36-9-4-3-8-35-10-5-7-34/h13-16,23,29-31,35-37,40H,3-12,17-19,34H2,1-2H3,(H,38,39)/t23-,29+,30-,31+/m0/s1

inchikey

  • NUZMJDHDPVKFJN-TYDXHICZSA-N

mass

  • 641.766

monoisotopicmass

  • 641.34246

smiles

  • COC=1C=C(C=C(C1O)OC)[C@@]2(C3=CC4=C(C=C3[C@@]([C@]5(COC([C@@]52[H])=O)[H])([H])/N=C(/CNCCCNCCCCNCCCN)/O)OCO4)[H]

subset

  • 2_STAR

synonym EXACT

  • N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232860

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