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Concept information

Preferred term

سفاباسین F3  

Type

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

Broader concept

charge

  • 0

formula

  • C32H51N11O13S

inchi

  • InChI=1S/C32H51N11O13S/c1-14(33)24(48)39-15(2)25(49)40-16(3)26(50)41-19(7-5-9-37-31(35)36)20(45)10-22(47)56-11-17-12-57-30-32(38-13-44,29(55)43(30)23(17)28(53)54)42-21(46)8-4-6-18(34)27(51)52/h13-16,18-20,30,45H,4-12,33-34H2,1-3H3,(H,38,44)(H,39,48)(H,40,49)(H,41,50)(H,42,46)(H,51,52)(H,53,54)(H4,35,36,37)/t14-,15-,16-,18+,19-,20+,30+,32+/m0/s1

inchikey

  • BGRDGTOTEZBYJX-LNMVFDGZSA-N

mass

  • 829.87800

monoisotopicmass

  • 829.33885

smiles

  • C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)[C@H](O)CC(=O)OCC1=C(N2[C@H](SC1)[C@](NC=O)(NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80109

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